data_1x2q_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 1x2q _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -87.79 153.42 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.1 m -150.91 145.25 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.471 ' CD ' HD11 ' A' ' 41' ' ' ILE . 2.6 ttp85 -103.1 122.89 45.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 129.12 39.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -90.64 -40.35 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -119.45 161.71 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.48 113.97 21.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.56 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.4 t80 -103.02 174.5 5.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 1.7 tt0 -164.49 116.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.96 137.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -111.79 -30.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.19 -169.7 1.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -100.59 30.32 4.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -170.38 51.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.34 175.4 7.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.97 131.3 45.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.404 ' N ' HD22 ' A' ' 34' ' ' LEU . 1.4 m -111.65 113.3 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.3 p90 -153.6 169.06 24.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.59 -176.12 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -74.52 148.06 41.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.63 -46.4 3.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.44 141.98 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.471 HD11 ' CD ' ' A' ' 21' ' ' ARG . 49.1 mm -90.24 148.35 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -136.93 128.86 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.453 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.5 mp -92.6 107.8 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -74.28 121.89 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.85 -42.17 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.98 132.95 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -135.31 40.58 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -48.93 77.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.9 t0 -98.85 164.92 12.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.64 -25.55 13.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.513 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -66.02 -52.55 48.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.513 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 47.8 m95 -119.55 140.62 50.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.5 OUTLIER -125.05 131.12 53.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -94.57 108.74 20.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.99 179.17 17.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 25.0 tt0 -134.25 150.33 51.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.789 . . . . 0.0 110.355 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLY . 29.6 p30 -150.02 169.63 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -39.02 -52.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -45.19 64.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 150.71 -155.68 26.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 3.1 mt -101.79 162.8 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.66 168.71 28.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.86 152.52 21.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.561 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.8 p90 -170.69 164.74 5.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.561 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.05 141.37 26.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 34.7 p -82.74 -10.32 58.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -89.46 15.44 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.526 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -112.65 -14.92 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.45 177.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.86 151.64 22.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.417 HG22 ' CB ' ' A' ' 69' ' ' VAL . 14.4 m -150.6 148.38 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' HD3' ' CD1' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.54 123.08 46.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 128.88 37.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.52 -39.96 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -123.6 165.57 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -86.68 112.0 21.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 44.1 t80 -102.89 175.91 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -167.72 106.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB2' ' CB ' ' A' ' 33' ' ' GLU . . . -41.54 135.67 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.8 -34.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.02 -172.52 4.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.37 29.35 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -172.09 55.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' CB ' ' HB2' ' A' ' 28' ' ' ALA . 1.2 mt-10 -129.88 174.35 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.66 135.23 40.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -115.93 110.04 18.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 11.7 p90 -148.94 168.53 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.79 -177.54 3.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -80.56 127.73 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.16 -48.06 0.98 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -44.81 142.78 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.428 ' CD1' ' HD3' ' A' ' 21' ' ' ARG . 47.4 mm -85.14 148.2 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.25 125.31 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.1 mp -89.61 107.94 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -74.21 125.34 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 mt -95.5 -41.91 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.63 133.6 36.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.1 p-10 -130.91 29.74 4.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -49.36 71.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.4 m-20 -99.03 165.3 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.96 -38.19 7.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.516 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -51.8 -54.45 28.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.516 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 46.7 m95 -119.94 147.81 44.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.545 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -132.82 133.21 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 107.982 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -94.34 114.03 26.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.62 175.98 22.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 29.7 tt0 -133.99 151.35 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 36' ' ' PHE . 29.7 p30 -148.8 169.37 20.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -38.77 -52.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.605 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -51.41 -52.91 41.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.66 -157.36 28.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.66 165.16 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.466 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 163.65 167.7 24.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.72 150.21 23.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.786 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.2 p90 -168.02 164.36 8.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.5 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.99 137.07 21.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.525 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.5 p -75.78 -8.76 57.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -88.96 14.18 11.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.465 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.2 m-85 -116.81 4.46 12.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.417 ' CB ' HG22 ' A' ' 20' ' ' VAL . 26.8 m -133.16 175.17 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.414 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -87.87 153.17 21.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.0 m -148.97 146.78 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.28 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 129.16 39.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.416 ' CD2' HG23 ' A' ' 70' ' ' THR . 91.7 mt -92.52 -36.1 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -128.5 163.48 24.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -84.47 112.57 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.585 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 45.3 t80 -105.17 151.08 24.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.81 112.76 8.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.42 138.01 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.5 p -111.42 -31.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.75 -171.2 2.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.13 38.86 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 8.8 p-10 -177.99 46.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.62 172.22 7.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -98.27 135.38 39.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -117.4 108.52 15.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 6.4 p90 -146.56 168.32 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.97 -178.49 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -81.02 128.93 34.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.547 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.36 -47.85 1.0 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.581 ' OE1' ' CE1' ' A' ' 58' ' ' HIS . 3.7 mt-10 -44.01 146.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.475 HD12 ' CD ' ' A' ' 21' ' ' ARG . 43.2 mm -91.98 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.409 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.7 mp -136.44 127.73 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.239 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.414 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.14 109.27 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 49.9 t -73.12 121.82 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.07 -44.99 8.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -133.45 137.05 45.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -134.99 40.04 2.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.7 t -58.43 -51.47 69.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 5.9 t0 -98.98 164.23 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.08 -30.48 11.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.504 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -61.39 -53.0 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.504 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 46.3 m95 -116.94 145.14 43.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 1.0 OUTLIER -130.46 130.7 44.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -94.84 108.46 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.97 178.28 18.27 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -134.28 146.03 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 0.804 . . . . 0.0 110.258 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' GLY . 35.7 p30 -146.04 169.96 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.581 ' CE1' ' OE1' ' A' ' 40' ' ' GLU . 13.3 p-80 -38.4 -54.71 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.622 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 58' ' ' HIS . 1.2 mtt180 -50.87 -45.17 59.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.12 -155.16 25.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.77 164.23 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.33 166.21 23.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.51 151.22 22.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 0.727 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -168.36 162.43 8.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.03 135.71 19.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.596 1.84 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.556 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.1 p -73.77 -6.29 46.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -89.54 8.1 32.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.2 m-85 -110.56 5.27 21.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.07 173.71 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.416 HG23 ' CD2' ' A' ' 23' ' ' LEU . 2.7 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 7.9 ttt180 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -88.42 149.55 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 m -148.5 149.66 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.419 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.01 126.8 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.329 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.62 126.0 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.44 -40.58 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -120.59 166.04 14.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -89.57 114.35 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 79.5 t80 -105.91 174.04 6.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 11.5 tt0 -162.58 114.32 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.08 135.24 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.5 p -109.02 -32.96 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -91.51 -173.28 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -94.83 14.7 20.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -156.86 58.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -130.21 173.39 10.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.55 134.14 41.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -115.73 109.35 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 7.3 p90 -148.35 170.23 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -116.97 -175.98 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -74.4 148.27 41.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.592 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 -46.68 3.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.3 mt-10 -44.07 142.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.419 HD12 ' CD ' ' A' ' 21' ' ' ARG . 42.5 mm -89.84 146.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.416 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.6 mp -136.63 126.02 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.417 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.96 107.94 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 46.1 t -72.83 123.97 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -97.31 -44.13 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.76 132.92 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -132.77 33.03 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.64 -51.96 63.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.443 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.7 m-20 -98.87 167.13 10.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.93 -33.44 8.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.7 m-80 -57.16 -57.06 14.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.477 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 45.5 m95 -115.11 143.25 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.028 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.8 OUTLIER -127.31 133.05 50.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.0 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -97.02 106.75 19.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.75 174.96 20.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' CG ' HG13 ' A' ' 61' ' ' ILE . 3.4 tm-20 -130.46 148.69 52.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.746 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' HIS . 30.9 p30 -147.06 169.18 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.451 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 7.6 p80 -39.13 -52.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.649 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.411 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -51.13 -49.85 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.37 -157.62 28.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.64 163.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.452 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 163.95 168.68 26.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.46 157.08 18.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 12.9 p90 -174.32 163.77 2.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.465 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.6 Cg_endo -74.9 140.58 25.92 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.065 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.559 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -79.3 -8.3 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.84 19.57 5.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -120.98 3.13 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.18 177.88 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 21' ' ' ARG . 2.9 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.89 154.34 20.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.6 m -149.83 148.34 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.474 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.16 122.95 45.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 124.02 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -82.53 -44.52 15.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 22.5 m-85 -121.26 165.82 14.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -85.29 118.24 24.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.614 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.2 t80 -104.37 175.66 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.518 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 38.9 tt0 -167.98 114.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -40.02 134.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.48 -31.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.01 -168.42 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.16 45.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 t30 175.69 56.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.45 175.78 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.78 133.25 43.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -110.36 109.05 19.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.5 p90 -150.73 172.56 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -119.32 -175.91 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -74.81 149.65 39.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.595 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 86.7 -54.88 4.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.1 mt-10 -38.91 142.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.474 HD11 ' CD ' ' A' ' 21' ' ' ARG . 44.2 mm -91.55 147.17 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 mt -135.97 128.34 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 56' ' ' GLU . 3.9 mp -88.88 108.37 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' ARG . 44.1 t -73.0 126.05 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.38 -43.02 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.12 133.02 38.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.568 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 12.9 p-10 -129.75 46.54 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.41 -52.21 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -98.79 122.79 42.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.17 -29.65 66.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -59.32 -47.3 85.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.541 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.3 m95 -130.25 126.39 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 108.012 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -111.41 133.03 54.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 107.957 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -96.12 110.32 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.09 177.65 19.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -134.71 147.2 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' HIS . 31.6 p30 -144.49 169.24 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.452 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 8.7 p80 -38.39 -53.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -51.08 53.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.76 -156.53 27.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.55 164.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 166.62 169.45 30.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -91.41 149.63 21.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.2 p90 -168.73 163.42 8.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -75.07 142.7 27.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.535 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.4 p -84.85 -3.18 58.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.47 12.11 21.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -109.61 -25.35 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 m -103.58 -179.51 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.443 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -87.88 151.82 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.2 m -146.04 149.59 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.47 125.16 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.9 123.89 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.7 mt -84.82 -42.23 15.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -120.84 166.57 13.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -87.0 111.83 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.598 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 21.5 t80 -99.5 177.34 5.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.9 tm-20 -172.84 100.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -38.83 136.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 p -107.4 -30.3 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -99.32 -176.54 3.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.231 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -97.61 48.18 1.02 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -179.63 45.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.64 173.89 10.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.65 136.28 38.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -114.09 108.55 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.4 p90 -152.07 170.81 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -115.85 -176.14 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.86 149.49 41.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.554 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.01 -45.84 3.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.96 145.6 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 42' ' ' ILE . 44.0 mm -92.88 145.81 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.424 ' N ' HG23 ' A' ' 41' ' ' ILE . 2.5 mp -136.31 127.07 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.44 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.6 mp -92.52 108.94 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.02 121.03 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.16 -45.35 7.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.78 148.25 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' SER . 3.6 p-10 -136.83 28.09 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -39.1 -46.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.78 162.26 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.53 -23.61 15.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.68 -53.3 6.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -101.74 129.67 47.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.022 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 1.6 m0 -118.24 130.68 56.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 108.031 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -95.1 107.83 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.43 178.48 18.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' CG ' HG13 ' A' ' 61' ' ' ILE . 18.6 tt0 -134.74 148.52 50.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.278 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 60' ' ' GLY . 31.5 p30 -147.81 169.35 19.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.423 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 6.3 p80 -38.42 -52.93 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 1.5 mtt180 -52.29 -47.45 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 153.78 -156.43 26.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.465 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.69 164.97 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.454 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 164.26 165.36 21.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.52 146.91 24.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 13.8 p90 -163.8 163.77 15.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.07 138.18 22.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 19.8 p -76.45 -7.14 54.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.77 14.01 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -115.34 -1.35 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -130.59 178.95 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.3 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -87.82 156.4 19.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.9 m -151.25 147.16 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.479 ' CD ' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -102.98 124.03 47.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 124.84 21.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.9 mt -88.14 -40.5 13.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -118.15 163.16 17.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.52 116.57 23.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.61 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 42.3 t80 -105.79 176.55 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' ALA . 4.0 tt0 -171.12 99.42 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 33' ' ' GLU . . . -39.12 134.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -107.91 -34.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.66 -172.52 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -101.22 24.75 9.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -163.57 50.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -126.36 174.64 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.8 135.28 40.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -113.08 108.92 17.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.0 p90 -151.36 170.35 19.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -121.03 -179.01 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.96 149.76 47.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.12 -49.41 3.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -45.27 143.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.479 HD13 ' CD ' ' A' ' 21' ' ' ARG . 46.9 mm -93.43 147.94 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.41 127.94 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.426 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.7 mp -90.56 107.86 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' ARG . 57.4 t -74.49 124.49 32.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.06 -42.35 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.83 132.88 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -132.25 41.83 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -51.64 22.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -98.98 123.3 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.84 -27.12 64.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.518 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.8 OUTLIER -63.29 -50.53 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.518 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 51.3 m95 -124.28 127.39 47.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -111.07 133.38 53.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 107.989 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -96.97 107.75 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.26 178.56 18.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 21.8 tt0 -133.96 149.55 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' HIS . 33.9 p30 -147.9 169.47 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -38.74 -53.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -50.86 -48.19 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.7 -156.32 26.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.66 163.48 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.77 168.35 27.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.66 151.46 22.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.7 p90 -170.54 164.96 5.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -74.96 141.37 26.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 51.8 p -83.16 -10.31 58.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.87 16.31 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -113.13 -13.9 12.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.3 m -114.58 -179.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -87.99 150.28 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.8 m -150.5 145.08 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.472 ' CD ' HD13 ' A' ' 41' ' ' ILE . 1.2 ttp180 -103.06 123.89 47.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 127.65 33.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.64 -42.67 13.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -119.59 168.9 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -88.83 115.27 26.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 74.6 t80 -106.43 173.03 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 40.1 tt0 -162.23 121.18 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.07 134.07 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 30' ' ' GLU . 7.5 p -109.27 -33.02 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 29' ' ' VAL . 2.7 mt-10 -100.58 -168.14 1.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -105.13 45.9 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 t30 176.36 46.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.73 175.34 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.85 132.9 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -112.28 109.81 19.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 7.1 p90 -148.99 172.14 15.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -121.94 -179.65 4.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -71.51 145.18 49.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.34 -41.43 3.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.447 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.0 mt-10 -50.89 142.93 10.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.763 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.472 HD13 ' CD ' ' A' ' 21' ' ' ARG . 41.5 mm -91.76 144.86 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.407 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.8 mp -136.47 129.63 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.474 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.2 mp -94.08 109.67 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -73.22 121.88 24.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.35 -30.49 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.45 134.6 19.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.56 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 3.6 p-10 -131.33 50.04 2.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -80.79 -51.32 8.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.95 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -98.87 124.5 43.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.1 -21.89 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.542 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -69.6 -40.24 76.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 57.6 m95 -135.31 126.97 29.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.1 OUTLIER -113.14 133.04 55.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.015 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.03 110.13 22.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.99 178.18 18.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' CG ' HG13 ' A' ' 61' ' ' ILE . 1.7 tm-20 -134.24 146.51 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' HIS . 31.6 p30 -143.39 169.44 17.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.447 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 8.4 p80 -37.93 -54.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -50.53 -54.56 21.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.27 -156.28 27.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.475 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.64 165.13 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.749 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.462 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 164.83 167.88 26.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -89.39 150.94 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.36 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.2 p90 -168.94 162.96 7.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.06 141.05 26.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -78.25 -6.89 56.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -90.97 19.18 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -122.93 8.01 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.45 176.57 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.92 153.22 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.8 m -147.14 152.16 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' CD ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.85 123.14 47.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 122.94 15.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.7 mt -84.21 -41.07 17.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -121.62 167.77 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.82 114.87 25.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.8 t80 -104.09 176.96 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 28' ' ' ALA . 19.4 tt0 -171.49 99.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -38.94 133.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 p -108.72 -34.77 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -83.87 -172.73 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -103.41 46.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 t30 174.66 47.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -126.32 175.24 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -98.86 135.6 40.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -113.21 109.06 18.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.626 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 12.5 p90 -150.51 167.59 26.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -175.94 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -78.03 130.48 36.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 107.08 -56.32 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.436 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 5.5 mt-10 -38.22 140.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.773 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.468 HD13 ' CD ' ' A' ' 21' ' ' ARG . 45.8 mm -86.26 148.03 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 mt -135.97 126.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' GLU . 3.9 mp -88.95 108.89 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.5 t -73.85 128.39 36.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.95 -42.17 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.5 132.96 39.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -131.46 31.41 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -51.12 68.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.3 m-20 -98.98 166.1 11.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.15 -35.01 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.497 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -54.88 -53.97 48.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 48.7 m95 -119.5 146.47 45.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.5 OUTLIER -131.82 131.33 42.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 108.033 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -94.78 110.45 22.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.1 178.3 18.66 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.6 tm-20 -134.21 147.45 50.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 36.8 p30 -147.9 170.21 18.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.489 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 6.2 p80 -37.44 -55.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.634 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.489 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -50.63 -46.29 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.98 -154.34 25.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.456 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.68 164.28 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 166.19 166.57 25.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.53 149.53 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 10.1 p90 -168.09 164.51 8.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.06 136.08 19.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.3 p -74.22 -10.76 59.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.78 10.78 14.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -114.28 7.73 16.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.76 173.49 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' A' ' 21' ' ' ARG . 4.9 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -87.82 150.58 23.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.5 m -150.44 147.41 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.473 ' CD ' HD13 ' A' ' 41' ' ' ILE . 1.4 ttp85 -102.87 125.23 49.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.68 126.8 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.9 mt -88.86 -41.41 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -117.87 162.91 17.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.29 113.82 21.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 35.0 t80 -102.62 169.89 8.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -162.58 112.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.47 138.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 p -111.69 -30.7 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -99.11 -167.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -103.39 34.64 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -172.77 47.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.62 174.13 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -98.88 134.25 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -113.37 109.32 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 8.9 p90 -149.63 170.75 17.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -121.82 177.87 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -68.86 145.6 53.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.541 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.03 -44.65 2.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.32 142.63 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.473 HD13 ' CD ' ' A' ' 21' ' ' ARG . 45.5 mm -93.18 146.04 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.408 ' N ' HG22 ' A' ' 41' ' ' ILE . 3.0 mt -135.8 128.84 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.419 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.7 mp -90.08 107.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -73.31 126.4 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -100.15 -43.29 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.18 133.85 46.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.471 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 33.3 p-10 -133.54 47.4 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -52.9 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -98.87 122.22 41.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -28.63 67.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.523 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -60.7 -50.62 72.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.2 m95 -125.89 127.22 45.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -111.04 138.37 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -102.03 107.63 18.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.32 178.93 17.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -133.32 147.76 51.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' HIS . 34.4 p30 -144.07 169.67 17.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -37.54 -55.39 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.611 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.2 mtt-85 -50.24 -54.93 17.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.56 -155.18 26.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.81 164.27 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 166.56 169.77 30.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -88.87 153.35 21.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.0 p90 -173.0 163.78 3.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.54 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -74.99 141.83 27.16 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 51.7 p -82.61 -9.52 59.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -90.86 18.59 6.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.425 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -116.71 -8.19 11.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.96 176.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.409 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -88.33 148.38 24.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.9 m -145.7 148.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.2 125.64 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 125.54 24.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.97 -40.07 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -120.45 163.83 17.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -85.59 112.06 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.615 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 23.9 t80 -99.72 177.05 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' ALA . 18.9 tt0 -171.23 100.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 33' ' ' GLU . . . -39.08 136.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.45 -33.85 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -82.49 -172.75 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -99.78 33.58 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 9.7 p-10 -176.04 50.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -123.04 175.35 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -100.9 136.0 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -114.7 107.83 15.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.615 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.7 p90 -151.04 170.43 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -117.0 -176.03 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -71.04 150.43 45.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 84.59 -50.6 4.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLY . 1.6 mt-10 -38.75 142.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.1 mm -91.04 146.49 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -136.55 125.97 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.419 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.84 108.12 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -73.72 121.49 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -97.75 -45.35 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.56 133.93 47.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -133.96 39.68 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -52.52 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -98.86 140.12 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.4 -23.7 40.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.509 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -67.2 -53.1 33.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.509 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 44.7 m95 -116.55 144.95 43.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.5 OUTLIER -128.37 131.33 48.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 107.969 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -96.38 106.01 18.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.42 178.73 17.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' CG ' HG13 ' A' ' 61' ' ' ILE . 31.4 tt0 -132.21 151.96 51.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' GLY . 36.0 p30 -151.93 169.83 21.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -38.05 -54.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.578 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -51.55 -45.97 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.15 -155.15 25.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.439 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.71 161.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 167.64 167.25 28.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -88.65 149.89 23.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 12.7 p90 -167.67 163.84 9.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.518 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.01 138.46 23.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.567 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -76.48 -9.06 58.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -91.74 22.2 4.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.518 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -122.27 3.16 9.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.3 m -133.1 179.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -87.86 155.75 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.1 m -152.02 145.02 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 123.32 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.76 127.72 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.83 -40.02 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.442 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 20.1 m-85 -123.14 171.45 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.8 119.55 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 54.5 t80 -110.16 176.08 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -170.1 105.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -38.54 133.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 p -104.45 -29.96 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -98.24 -170.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -100.9 33.33 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -166.67 51.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -132.53 170.74 14.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -98.71 131.75 44.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m -106.35 110.89 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.4 p90 -152.27 170.03 21.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -120.35 -177.78 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 39' ' ' GLY . 1.7 t-80 -68.79 146.91 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 87.34 -52.44 4.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.43 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.7 mt-10 -38.28 140.47 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.735 . . . . 0.0 110.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.9 mm -93.46 146.22 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -135.72 134.02 51.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.492 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.0 mp -94.14 107.87 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.93 121.29 27.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mt -91.21 -41.21 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.71 132.95 39.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 5.7 p-10 -132.39 51.85 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.77 -34.81 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -102.4 111.71 24.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.6 -27.9 68.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.538 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 2.2 m-80 -65.85 -48.94 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.538 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 51.8 m95 -129.69 127.58 40.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 107.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -109.91 133.99 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -95.55 114.61 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.51 179.16 19.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -137.38 147.21 45.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 110.304 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 40.2 p30 -144.79 169.81 17.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.441 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 11.5 p80 -38.33 -54.54 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.441 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -51.51 -44.63 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 150.66 -154.25 25.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.76 163.05 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.429 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 169.95 165.68 27.71 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.34 142.65 27.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.0 p90 -162.59 163.49 17.96 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -75.03 144.98 30.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.3 p -86.94 -4.14 59.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -92.62 15.74 13.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -113.53 -26.87 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 111.062 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.64 179.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.85 149.6 24.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 m -141.24 150.56 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.53 123.55 47.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.24 122.93 18.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 mt -84.96 -42.48 14.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -122.02 163.25 19.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -84.97 112.99 21.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.604 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.5 t80 -99.49 177.27 5.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.3 tt0 -169.95 101.21 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -39.17 132.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.25 -35.37 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -83.71 -172.75 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -100.83 35.59 2.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -175.17 50.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.66 174.04 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -99.09 137.29 37.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -112.75 109.91 19.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.604 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 8.7 p90 -154.05 171.18 19.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -119.19 -176.48 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.363 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.75 151.15 43.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 84.66 -55.76 5.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' GLY . 3.0 mt-10 -38.79 142.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 110.255 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 42.8 mm -92.63 148.74 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 mp -136.05 124.04 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.5 mp -84.43 110.14 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.5 t -76.75 121.87 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.31 -43.73 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.24 132.89 43.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -131.91 27.23 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 t -48.51 -50.68 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.433 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 3.6 m-20 -99.74 167.08 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.05 -41.56 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.44 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.4 m-80 -48.07 -58.9 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.44 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 47.3 m95 -115.26 146.37 41.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.4 OUTLIER -129.08 138.75 52.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -103.16 107.17 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.57 179.08 17.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 13.0 tt0 -133.64 147.95 51.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 34.4 p30 -148.24 170.18 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 5.3 p80 -37.6 -55.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.567 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -51.04 -46.17 61.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.2 -154.08 25.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 3.0 mt -101.76 165.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.03 166.34 23.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -88.53 147.1 24.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.3 p90 -166.11 164.02 11.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.5 Cg_endo -74.94 137.42 21.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 37.2 p -80.57 -4.88 55.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -84.85 -14.75 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.5 m-85 -82.04 -28.1 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.3 m -101.43 178.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.68 152.33 22.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.0 m -147.03 146.93 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -102.96 122.92 45.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.19 128.79 38.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.5 mt -87.2 -38.72 16.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -126.24 164.64 20.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -84.84 119.13 24.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 63.3 t80 -107.14 173.27 6.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 21.1 tt0 -162.43 107.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.29 130.76 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 p -104.63 -35.98 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -86.36 -172.76 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -101.23 36.91 1.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -177.81 54.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -128.17 176.35 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.74 133.47 43.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 m -111.95 111.52 22.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.6 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 13.3 p90 -150.86 170.21 19.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -114.25 -176.15 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.27 141.57 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.87 -32.55 4.79 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -54.73 151.18 8.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.444 HD12 ' CD ' ' A' ' 21' ' ' ARG . 45.7 mm -93.72 147.84 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.8 mp -140.77 125.44 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 56' ' ' GLU . 3.9 mp -90.43 108.78 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.3 t -76.18 125.12 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mt -97.26 -32.61 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.79 133.5 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.562 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.5 p30 -132.6 38.7 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.61 -47.39 81.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.476 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.6 m-20 -98.96 161.98 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.78 -27.26 12.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.52 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -65.42 -49.56 68.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.52 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 50.0 m95 -123.68 144.14 49.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.051 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.1 OUTLIER -130.63 133.13 45.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.988 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -95.62 108.84 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.23 178.83 18.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' CG ' HG13 ' A' ' 61' ' ' ILE . 23.8 tt0 -135.96 150.47 49.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 58' ' ' HIS . 31.3 p30 -148.51 169.42 20.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . 11.5 p80 -38.34 -53.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' HG3' ' CE1' ' A' ' 58' ' ' HIS . 14.4 mtt-85 -51.0 -53.53 32.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.59 -156.92 28.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.471 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.62 165.01 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.462 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.24 166.16 23.75 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.63 150.65 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.7 p90 -168.55 163.2 8.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -74.97 137.14 21.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -76.04 -6.11 49.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.56 17.72 7.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -120.15 -1.82 10.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 m -127.28 174.86 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.418 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -88.44 145.0 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.1 m -141.86 147.66 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.437 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.37 122.93 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.235 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.77 128.95 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.78 -42.08 12.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.461 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 42.6 m-85 -118.59 170.18 9.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -88.05 126.65 35.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 46.8 t80 -117.84 176.66 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -171.13 117.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' CB ' ' OG1' ' A' ' 35' ' ' THR . . . -40.51 126.84 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.2 p -103.9 -32.82 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.29 -170.52 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -100.52 40.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -178.37 51.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -129.91 172.61 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.36 129.89 45.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.416 ' N ' HD22 ' A' ' 34' ' ' LEU . 1.8 m -105.47 114.93 29.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.6 p90 -157.87 171.75 19.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -123.77 176.52 6.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -63.18 148.16 48.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.88 -47.91 3.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.103 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.32 141.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.437 HD11 ' CD ' ' A' ' 21' ' ' ARG . 41.4 mm -91.49 144.46 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.418 ' N ' HG23 ' A' ' 41' ' ' ILE . 2.7 mp -135.87 126.71 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' GLU . 3.9 mp -89.59 108.9 19.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.47 121.21 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mt -93.23 -44.6 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.28 133.02 42.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' HB2' ' NE1' ' A' ' 53' ' ' TRP . 7.6 p-10 -130.74 37.06 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.63 -49.95 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.2 m-20 -98.69 165.7 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.3 -28.82 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -64.83 -51.49 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.428 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 54.2 m95 -118.9 139.99 50.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.042 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -125.88 132.47 52.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -95.13 109.48 21.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.34 179.05 17.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.479 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -136.01 147.3 47.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.757 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 58' ' ' HIS . 35.1 p30 -144.16 169.23 18.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.471 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -38.29 -52.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -51.56 -58.17 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.57 -157.49 29.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.479 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.92 153.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.429 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 177.36 166.74 34.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.58 151.58 22.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.3 p90 -169.39 162.77 7.34 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -74.98 136.91 21.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.529 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 30.4 p -76.96 -8.08 56.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -89.95 17.08 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -117.76 -1.7 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.962 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.83 176.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.37 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -87.85 148.23 24.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.1 m -145.3 150.44 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.46 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -110.86 122.79 48.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.246 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 125.94 25.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.2 mt -86.49 -42.79 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 36.6 m-85 -118.44 171.08 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -89.2 121.15 31.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.4 t80 -112.85 175.89 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 2.9 mt-10 -170.45 114.3 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.53 134.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.31 -32.22 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -101.01 -171.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -100.65 46.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 t30 176.6 50.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.18 174.24 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.69 132.46 44.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -110.16 112.47 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.396 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.8 p90 -154.26 171.96 18.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.99 172.41 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 147.97 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.599 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 89.13 -56.87 4.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.415 ' OE2' ' NE2' ' A' ' 58' ' ' HIS . 1.7 mt-10 -38.81 141.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 HD12 ' CD ' ' A' ' 21' ' ' ARG . 46.1 mm -92.27 146.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 mt -135.97 130.51 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.447 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.5 mp -92.07 107.88 19.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.15 122.16 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.38 -42.43 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.81 135.17 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.551 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 32.7 p-10 -131.24 46.47 2.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -77.32 -53.95 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 52' ' ' TRP . 2.0 t70 -98.99 123.85 43.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.59 -28.54 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -60.23 -49.08 79.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.541 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 49.4 m95 -127.65 126.46 42.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -111.86 133.05 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 107.959 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -94.83 112.67 24.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.31 179.08 19.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 61' ' ' ILE . 26.9 tt0 -135.27 150.69 50.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 58' ' ' HIS . 32.8 p30 -146.56 169.5 18.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 57' ' ' ASN . 6.1 p80 -37.54 -54.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 37.8 mtt-85 -50.83 -54.02 27.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.13 -155.14 26.32 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.79 165.24 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.455 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.93 167.94 27.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.84 147.61 24.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.0 p90 -166.3 163.54 11.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -75.0 139.44 24.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.565 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.0 p -79.24 -8.4 59.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.58 21.12 4.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -121.67 -3.49 9.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.04 175.02 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 5.2 ttm180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -87.86 149.63 24.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.9 m -147.99 146.23 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.454 ' CD ' HD13 ' A' ' 41' ' ' ILE . 3.4 ttp85 -103.52 123.46 46.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.83 125.92 25.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.03 -41.39 14.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -120.99 172.19 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.7 129.15 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 54.5 t80 -122.33 171.63 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.548 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 26.9 tt0 -162.91 117.09 1.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.15 122.71 4.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p -92.28 -35.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -93.16 -172.88 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.9 24.51 6.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.23 56.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -132.58 174.38 10.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -102.12 130.37 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.47 HG23 ' CD ' ' A' ' 59' ' ' ARG . 1.0 OUTLIER -109.42 118.33 36.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.3 p90 -155.43 171.77 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -123.57 177.72 5.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -65.88 147.95 52.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.46 -47.52 3.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -45.58 142.98 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.454 HD13 ' CD ' ' A' ' 21' ' ' ARG . 47.6 mm -94.71 147.72 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.45 126.53 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.411 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.41 107.89 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 47.2 t -72.94 125.41 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -97.74 -43.53 7.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.47 134.47 41.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -129.48 28.09 5.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.5 -51.76 11.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.15 166.13 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.02 -28.69 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -53.54 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -113.91 137.01 52.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -124.39 132.46 53.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -97.07 106.27 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -131.89 176.5 19.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.469 1.105 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.479 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -130.27 147.18 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' HIS . 37.7 p30 -146.87 169.59 18.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.1 t-80 -37.26 -55.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.612 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.47 ' CD ' HG23 ' A' ' 35' ' ' THR . 3.4 mtt-85 -50.4 -49.22 55.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 156.24 -154.37 25.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.479 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -102.19 162.09 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 167.85 171.45 33.82 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -92.51 152.98 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.6 p90 -172.31 163.37 4.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -74.95 137.35 21.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.554 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 25.2 p -77.78 -8.26 57.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.49 11.04 15.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -112.58 -4.36 14.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.3 175.11 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.385 179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -88.01 157.12 18.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.8 m -153.54 146.29 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.469 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.57 122.97 46.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.5 127.93 34.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.32 -42.75 12.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.56 166.69 13.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -86.29 112.4 21.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.622 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.9 t80 -101.07 177.22 5.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' ALA . 14.3 tt0 -171.77 102.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -38.94 134.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -110.96 -33.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.58 -172.63 4.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -99.7 34.42 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -175.02 54.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.83 173.4 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -98.94 135.97 39.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.25 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.422 ' N ' HD22 ' A' ' 34' ' ' LEU . 4.2 m -111.03 114.49 27.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.0 p90 -158.79 171.36 20.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -119.65 -176.18 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.05 145.64 42.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.596 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.33 -44.0 2.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -48.7 142.48 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.469 HD12 ' CD ' ' A' ' 21' ' ' ARG . 41.1 mm -90.53 146.65 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.81 131.47 47.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.2 mp -93.42 109.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.32 126.67 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.5 -37.92 9.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.12 135.9 36.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.558 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 3.8 p30 -134.39 47.73 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -79.59 -50.12 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.84 123.53 43.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.71 -25.71 62.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.551 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -64.62 -44.97 88.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.551 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.4 m95 -131.41 127.09 36.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 107.988 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.558 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -112.11 133.21 54.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 107.947 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -95.11 113.62 25.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.73 178.08 20.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.4 tm-20 -136.89 147.86 46.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 60' ' ' GLY . 33.4 p30 -145.71 169.31 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' ASN . 4.2 p80 -38.98 -53.29 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.559 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.408 ' NH1' ' CG2' ' A' ' 35' ' ' THR . 20.4 mtt180 -51.61 -45.18 63.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.27 -156.81 26.87 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.47 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.7 mp -101.56 165.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.457 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 164.7 165.37 21.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -88.59 143.21 27.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 10.8 p90 -161.3 163.2 20.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.531 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.01 141.59 26.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.557 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -79.51 -3.81 48.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -93.79 19.05 9.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -120.56 -1.64 10.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.99 174.89 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -87.8 146.1 25.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.31 147.63 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -105.11 125.14 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 126.99 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.1 mt -86.51 -42.03 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -121.23 170.24 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.87 115.26 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.616 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.3 t80 -103.64 175.49 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.52 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 44.6 tt0 -166.95 102.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.42 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -41.07 129.46 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.8 p -96.54 -33.25 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -90.69 -172.88 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.75 15.67 26.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -148.74 41.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -119.87 171.38 8.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -98.92 129.16 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.452 HG21 ' CD ' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -111.72 120.74 43.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.616 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 11.7 p90 -155.98 169.08 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -178.59 3.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -80.29 131.17 35.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.25 -49.73 0.86 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -42.78 146.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 21' ' ' ARG . 47.7 mm -91.48 146.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 mt -136.04 127.99 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.0 mp -89.56 107.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.5 t -72.97 125.68 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -99.39 -39.08 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.42 136.57 43.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.553 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 19.6 p-10 -135.05 45.63 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -51.73 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.74 123.92 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.66 -25.92 64.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.479 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -66.21 -52.22 50.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.1 m95 -121.16 128.44 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.1 OUTLIER -113.58 137.46 51.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.06 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -99.76 108.06 20.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.9 179.25 17.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.7 tm-20 -133.4 148.9 51.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' HIS . 28.9 p30 -144.86 169.51 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -38.36 -53.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.524 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 33.3 mtt-85 -51.56 -54.97 21.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.86 -156.44 28.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.47 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.64 165.39 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.459 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 166.13 178.98 39.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -98.26 150.57 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.5 p90 -170.34 163.81 5.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.571 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.93 143.55 29.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.565 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -82.21 -11.17 58.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.1 8.15 19.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -110.21 3.35 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.1 m -134.07 173.48 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -88.11 147.57 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.6 m -143.49 149.57 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -103.07 122.82 45.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.17 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.79 122.76 17.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 mt -85.69 -40.96 15.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -122.09 165.91 15.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.04 111.85 21.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 41.4 t80 -97.17 172.21 7.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.39 116.67 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.17 134.22 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.16 -31.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -98.25 -168.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -101.63 36.0 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -175.94 48.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -121.0 176.41 5.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -98.46 135.76 39.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -116.32 109.13 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 7.7 p90 -149.68 170.63 18.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -113.05 -176.11 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -80.64 134.46 35.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.565 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.22 -50.44 0.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -47.58 140.56 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.325 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CD1' ' HD3' ' A' ' 21' ' ' ARG . 48.6 mm -89.85 149.3 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.55 136.87 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.482 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.1 mp -93.24 107.68 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.86 126.62 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mt -101.38 -39.02 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.41 133.48 40.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.559 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -138.5 45.59 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.57 10.12 26.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.74 122.92 12.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.66 -16.92 59.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.524 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.1 m-80 -79.95 -48.05 14.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.524 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 54.0 m95 -126.5 143.48 51.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -127.88 132.72 49.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -96.3 115.15 26.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.81 178.97 20.22 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -134.39 147.05 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' HIS . 35.0 p30 -145.44 169.32 18.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -38.52 -53.97 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.28 -51.26 46.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.076 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 159.07 -156.71 27.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.79 161.85 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 165.4 168.9 28.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.6 155.74 19.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 0.797 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.0 p90 -172.51 162.34 4.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.0 137.72 22.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.427 1.751 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 38.6 p -79.55 -13.58 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.95 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -81.25 3.1 25.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.47 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -101.4 -20.76 15.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.7 m -110.29 -179.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 21' ' ' ARG . 3.3 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.451 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -117.21 -58.41 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 110.014 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -168.08 143.01 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.36 117.52 1.89 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -109.25 -56.36 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.974 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.82 80.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.34 -140.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 10.7 t -150.56 179.28 8.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 110.031 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER 166.97 -30.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -90.01 118.06 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -170.92 81.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.04 79.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 p30 179.92 101.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -83.21 122.46 28.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -154.34 135.6 14.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 m -85.9 117.01 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . . . -157.96 161.29 38.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.68 104.22 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.484 ' CB ' HD12 ' A' ' 73' ' ' LEU . 13.0 mttm -87.79 153.42 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.1 m -150.91 145.25 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.471 ' CD ' HD11 ' A' ' 41' ' ' ILE . 2.6 ttp85 -103.1 122.89 45.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 129.12 39.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -90.64 -40.35 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -119.45 161.71 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.48 113.97 21.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.56 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.4 t80 -103.02 174.5 5.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 1.7 tt0 -164.49 116.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.96 137.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 p -111.79 -30.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.19 -169.7 1.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -100.59 30.32 4.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -170.38 51.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.34 175.4 7.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.97 131.3 45.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.404 ' N ' HD22 ' A' ' 34' ' ' LEU . 1.4 m -111.65 113.3 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.3 p90 -153.6 169.06 24.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.59 -176.12 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -74.52 148.06 41.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.63 -46.4 3.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.44 141.98 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.471 HD11 ' CD ' ' A' ' 21' ' ' ARG . 49.1 mm -90.24 148.35 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -136.93 128.86 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.453 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.5 mp -92.6 107.8 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -74.28 121.89 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.85 -42.17 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.98 132.95 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -135.31 40.58 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -48.93 77.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.9 t0 -98.85 164.92 12.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.64 -25.55 13.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.513 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -66.02 -52.55 48.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.513 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 47.8 m95 -119.55 140.62 50.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.5 OUTLIER -125.05 131.12 53.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -94.57 108.74 20.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.99 179.17 17.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 25.0 tt0 -134.25 150.33 51.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.789 . . . . 0.0 110.355 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 60' ' ' GLY . 29.6 p30 -150.02 169.63 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -39.02 -52.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -45.19 64.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 150.71 -155.68 26.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 3.1 mt -101.79 162.8 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.66 168.71 28.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.86 152.52 21.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.561 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.8 p90 -170.69 164.74 5.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.561 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.05 141.37 26.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 34.7 p -82.74 -10.32 58.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -89.46 15.44 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.526 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -112.65 -14.92 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.45 177.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.3 t -136.3 129.29 31.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.4 p -71.84 62.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 178.85 86.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 19' ' ' LYS . 21.5 mt -42.97 -55.41 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.3 136.77 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.84 100.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -97.61 124.84 42.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.3 m -64.85 -56.91 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.03 132.9 43.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.28 76.82 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.92 104.63 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.1 -61.13 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.8 t -68.01 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.2 -58.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 176.91 -171.6 44.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.86 -58.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -165.05 156.81 15.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -137.7 154.39 49.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -163.56 136.64 5.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.63 170.46 29.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.35 104.16 6.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -151.57 100.48 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.89 -147.93 23.4 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.67 157.43 2.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 0.738 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.56 103.23 12.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 ' CD1' ' O ' ' A' ' 10' ' ' ILE . 1.6 pp -118.58 122.95 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.59 76.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 69.6 100.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -128.02 161.11 29.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -130.15 102.5 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' CB ' ' HE2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -110.38 178.38 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.3 m -114.98 170.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.486 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . . . 67.41 178.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.87 108.95 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.499 ' CB ' HD13 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -87.86 151.64 22.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.417 HG22 ' CB ' ' A' ' 69' ' ' VAL . 14.4 m -150.6 148.38 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' HD3' ' CD1' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.54 123.08 46.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 128.88 37.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.2 mt -88.52 -39.96 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -123.6 165.57 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -86.68 112.0 21.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 44.1 t80 -102.89 175.91 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -167.72 106.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.44 ' HB2' ' CB ' ' A' ' 33' ' ' GLU . . . -41.54 135.67 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.8 -34.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.02 -172.52 4.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.37 29.35 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -172.09 55.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' CB ' ' HB2' ' A' ' 28' ' ' ALA . 1.2 mt-10 -129.88 174.35 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.66 135.23 40.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -115.93 110.04 18.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 11.7 p90 -148.94 168.53 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.79 -177.54 3.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -80.56 127.73 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.16 -48.06 0.98 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -44.81 142.78 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.428 ' CD1' ' HD3' ' A' ' 21' ' ' ARG . 47.4 mm -85.14 148.2 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -137.25 125.31 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 17' ' ' ALA . 4.1 mp -89.61 107.94 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -74.21 125.34 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 mt -95.5 -41.91 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.63 133.6 36.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.1 p-10 -130.91 29.74 4.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -49.36 71.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.4 m-20 -99.03 165.3 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.96 -38.19 7.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.516 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -51.8 -54.45 28.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.516 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 46.7 m95 -119.94 147.81 44.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.545 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -132.82 133.21 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 107.982 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -94.34 114.03 26.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.62 175.98 22.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 29.7 tt0 -133.99 151.35 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 36' ' ' PHE . 29.7 p30 -148.8 169.37 20.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -38.77 -52.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.605 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -51.41 -52.91 41.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.66 -157.36 28.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.66 165.16 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.466 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 163.65 167.7 24.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.72 150.21 23.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.786 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.2 p90 -168.02 164.36 8.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.5 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.99 137.07 21.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.525 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.5 p -75.78 -8.76 57.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -88.96 14.18 11.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.465 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.2 m-85 -116.81 4.46 12.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.417 ' CB ' HG22 ' A' ' 20' ' ' VAL . 26.8 m -133.16 175.17 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.4 t -136.34 134.44 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.414 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.6 p -69.47 61.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t30 173.37 127.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.499 HD13 ' CB ' ' A' ' 19' ' ' LYS . 3.6 mt -88.59 55.49 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -178.13 135.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.7 mt 60.58 154.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -67.53 -52.24 41.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 t -177.45 144.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 79' ' ' ALA . 39.0 tt0 -157.0 159.08 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 78' ' ' GLU . . . -161.67 72.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.57 166.44 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.19 133.58 16.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.5 t -88.02 150.81 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.2 t -96.07 -57.44 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.93 154.83 6.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.86 42.49 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.457 1.767 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.7 p -128.34 162.55 26.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.2 m 60.25 162.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -152.54 100.36 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 110.003 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p 57.04 169.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.64 -174.13 35.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 -58.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -111.6 -58.45 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.2 99.16 0.94 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.5 t -92.33 161.65 14.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.72 128.59 23.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -57.86 146.74 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.23 60.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.62 -61.3 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -136.48 148.35 47.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -67.01 84.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -125.7 149.62 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.6 m -106.21 121.56 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.436 ' HB1' ' CG2' ' A' ' 43' ' ' ILE . . . -126.54 165.98 18.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -90.3 100.09 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' CB ' HD13 ' A' ' 73' ' ' LEU . 4.5 mttt -87.87 153.17 21.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.0 m -148.97 146.78 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.28 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 129.16 39.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.416 ' CD2' HG23 ' A' ' 70' ' ' THR . 91.7 mt -92.52 -36.1 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -128.5 163.48 24.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -84.47 112.57 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.585 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 45.3 t80 -105.17 151.08 24.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.81 112.76 8.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.42 138.01 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.5 p -111.42 -31.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.75 -171.2 2.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.13 38.86 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 8.8 p-10 -177.99 46.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.62 172.22 7.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -98.27 135.38 39.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -117.4 108.52 15.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.585 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 6.4 p90 -146.56 168.32 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.97 -178.49 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -81.02 128.93 34.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.547 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.36 -47.85 1.0 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.581 ' OE1' ' CE1' ' A' ' 58' ' ' HIS . 3.7 mt-10 -44.01 146.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.475 HD12 ' CD ' ' A' ' 21' ' ' ARG . 43.2 mm -91.98 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.409 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.7 mp -136.44 127.73 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.239 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.436 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 3.8 mp -90.14 109.27 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 49.9 t -73.12 121.82 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.07 -44.99 8.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -133.45 137.05 45.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -134.99 40.04 2.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.7 t -58.43 -51.47 69.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 5.9 t0 -98.98 164.23 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.08 -30.48 11.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.504 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -61.39 -53.0 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.504 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 46.3 m95 -116.94 145.14 43.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.556 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 1.0 OUTLIER -130.46 130.7 44.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -94.84 108.46 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.97 178.28 18.27 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -134.28 146.03 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 0.804 . . . . 0.0 110.258 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' GLY . 35.7 p30 -146.04 169.96 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.581 ' CE1' ' OE1' ' A' ' 40' ' ' GLU . 13.3 p-80 -38.4 -54.71 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.622 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 58' ' ' HIS . 1.2 mtt180 -50.87 -45.17 59.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.12 -155.16 25.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.77 164.23 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.33 166.21 23.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.51 151.22 22.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 0.727 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -168.36 162.43 8.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.03 135.71 19.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.596 1.84 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.556 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.1 p -73.77 -6.29 46.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -89.54 8.1 32.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.2 m-85 -110.56 5.27 21.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.07 173.71 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 72' ' ' ASN . 2.7 t -134.71 127.72 31.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 p -69.4 61.46 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' THR . 0.9 OUTLIER 177.65 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.483 HD13 ' CB ' ' A' ' 19' ' ' LYS . 38.0 mt -47.33 -53.39 13.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -113.59 102.53 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.48 104.58 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.91 147.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.7 p -127.47 89.69 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.64 136.42 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.07 84.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.75 151.47 37.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.24 173.4 6.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.1 t -103.21 142.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 m -132.91 147.14 52.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.56 157.31 25.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 171.39 18.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.18 -57.02 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.66 -58.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -173.4 157.21 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.962 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.72 154.41 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.14 165.19 38.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -176.69 145.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.16 168.99 10.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.99 165.98 36.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 p -178.67 -59.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 109.968 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 43.21 70.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 tt -66.58 146.8 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -167.48 158.25 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 pp -155.56 151.29 27.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -116.09 109.18 17.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.35 159.67 2.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.14 165.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.2 m -107.27 129.35 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . . . -112.14 165.45 12.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 7.9 ttt180 -83.07 101.35 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' CB ' HD13 ' A' ' 73' ' ' LEU . 1.5 mttm -88.42 149.55 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.3 m -148.5 149.66 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.419 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.01 126.8 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.329 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.62 126.0 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -87.44 -40.58 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -120.59 166.04 14.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -89.57 114.35 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 79.5 t80 -105.91 174.04 6.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 11.5 tt0 -162.58 114.32 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.08 135.24 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.5 p -109.02 -32.96 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -91.51 -173.28 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -94.83 14.7 20.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -156.86 58.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -130.21 173.39 10.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.55 134.14 41.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -115.73 109.35 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 7.3 p90 -148.35 170.23 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -116.97 -175.98 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -74.4 148.27 41.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.592 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 -46.68 3.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.3 mt-10 -44.07 142.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.419 HD12 ' CD ' ' A' ' 21' ' ' ARG . 42.5 mm -89.84 146.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.416 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.6 mp -136.63 126.02 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 3.8 mp -90.96 107.94 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 46.1 t -72.83 123.97 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -97.31 -44.13 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.76 132.92 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -132.77 33.03 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.64 -51.96 63.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.443 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.7 m-20 -98.87 167.13 10.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.93 -33.44 8.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.7 m-80 -57.16 -57.06 14.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.477 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 45.5 m95 -115.11 143.25 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.028 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.8 OUTLIER -127.31 133.05 50.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.0 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -97.02 106.75 19.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.75 174.96 20.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' CG ' HG13 ' A' ' 61' ' ' ILE . 3.4 tm-20 -130.46 148.69 52.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.746 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' HIS . 30.9 p30 -147.06 169.18 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.451 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 7.6 p80 -39.13 -52.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.649 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.411 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -51.13 -49.85 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.37 -157.62 28.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.64 163.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.452 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 163.95 168.68 26.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.46 157.08 18.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 12.9 p90 -174.32 163.77 2.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.6 Cg_endo -74.9 140.58 25.92 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.065 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.559 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -79.3 -8.3 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.84 19.57 5.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -120.98 3.13 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.18 177.88 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.412 ' CG2' ' HB3' ' A' ' 21' ' ' ARG . 2.9 t -137.76 130.59 30.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 65.5 p -69.1 62.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.398 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.3 t30 171.95 108.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.492 HD13 ' CB ' ' A' ' 19' ' ' LYS . 24.6 mt -64.29 80.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 72' ' ' ASN . 3.8 t-20 178.52 155.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.5 mt -94.13 111.77 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.0 129.0 46.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 77' ' ' THR . 1.3 t -173.82 119.61 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.14 159.87 6.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.56 -61.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.37 159.16 30.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 55.26 90.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.78 128.45 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -62.06 138.78 58.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.71 164.23 25.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -50.27 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t 62.66 158.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.6 m -114.46 169.9 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 110.059 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.58 93.99 4.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t 63.75 97.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.32 -71.5 0.66 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -92.04 146.6 23.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.11 134.91 6.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.44 174.44 40.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 t -163.15 166.12 23.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 110.01 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.61 141.02 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 mp -59.61 126.48 17.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -143.82 -57.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 45.22 80.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -169.52 129.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.44 100.43 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.66 166.79 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 m -101.19 125.81 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.12 170.96 7.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER -94.86 99.48 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' CB ' HD13 ' A' ' 73' ' ' LEU . 1.1 mttt -87.89 154.34 20.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' N ' HD21 ' A' ' 73' ' ' LEU . 24.6 m -149.83 148.34 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.474 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.16 122.95 45.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 124.02 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -82.53 -44.52 15.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 22.5 m-85 -121.26 165.82 14.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -85.29 118.24 24.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.614 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.2 t80 -104.37 175.66 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.518 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 38.9 tt0 -167.98 114.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -40.02 134.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.48 -31.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.01 -168.42 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.16 45.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 t30 175.69 56.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.45 175.78 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.78 133.25 43.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -110.36 109.05 19.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.5 p90 -150.73 172.56 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -119.32 -175.91 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -74.81 149.65 39.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.595 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 86.7 -54.88 4.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.1 mt-10 -38.91 142.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.474 HD11 ' CD ' ' A' ' 21' ' ' ARG . 44.2 mm -91.55 147.17 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 mt -135.97 128.34 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 56' ' ' GLU . 3.9 mp -88.88 108.37 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' ARG . 44.1 t -73.0 126.05 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.38 -43.02 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.12 133.02 38.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.568 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 12.9 p-10 -129.75 46.54 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.41 -52.21 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -98.79 122.79 42.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.17 -29.65 66.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -59.32 -47.3 85.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.541 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.3 m95 -130.25 126.39 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 108.012 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -111.41 133.03 54.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 107.957 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -96.12 110.32 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.09 177.65 19.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -134.71 147.2 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' HIS . 31.6 p30 -144.49 169.24 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.452 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 8.7 p80 -38.39 -53.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -51.08 53.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.76 -156.53 27.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.55 164.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 166.62 169.45 30.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -91.41 149.63 21.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.2 p90 -168.73 163.42 8.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -75.07 142.7 27.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.535 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.4 p -84.85 -3.18 58.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.47 12.11 21.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -109.61 -25.35 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 m -103.58 -179.51 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ASN . 5.6 t -139.43 131.57 28.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.443 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.7 p -70.33 59.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' THR . 17.3 t30 178.12 99.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 19' ' ' LYS . 48.4 mt -56.86 -54.13 49.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -157.2 150.0 23.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.7 mt -81.58 107.92 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.08 169.22 18.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.2 p -89.34 -57.64 2.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -172.05 -39.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 178.65 72.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.6 70.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -167.15 173.33 9.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.5 t -73.61 114.91 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.18 166.98 27.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.035 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.35 177.72 21.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.56 13.4 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.2 t 53.07 100.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.3 m -54.06 -58.5 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 m -139.73 166.87 23.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 0.716 . . . . 0.0 110.056 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -130.27 161.34 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.11 -179.3 18.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -169.36 164.88 10.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 p -147.0 169.61 18.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.72 117.82 0.61 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -157.57 119.28 3.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -156.93 149.04 22.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.5 pt -115.32 175.51 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.23 164.77 34.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.76 98.34 2.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -91.18 131.22 36.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -82.77 -55.45 4.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.87 170.73 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.13 127.61 54.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' HB1' ' CG2' ' A' ' 43' ' ' ILE . . . -80.28 153.99 28.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.91 96.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.487 ' CB ' HD11 ' A' ' 73' ' ' LEU . 6.7 mttt -87.88 151.82 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.2 m -146.04 149.59 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.47 125.16 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.9 123.89 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.7 mt -84.82 -42.23 15.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -120.84 166.57 13.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -87.0 111.83 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.598 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 21.5 t80 -99.5 177.34 5.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.9 tm-20 -172.84 100.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -38.83 136.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 p -107.4 -30.3 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -99.32 -176.54 3.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.231 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -97.61 48.18 1.02 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -179.63 45.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -130.64 173.89 10.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.65 136.28 38.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -114.09 108.55 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.4 p90 -152.07 170.81 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -115.85 -176.14 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.86 149.49 41.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.554 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.01 -45.84 3.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.96 145.6 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 42' ' ' ILE . 44.0 mm -92.88 145.81 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.424 ' N ' HG23 ' A' ' 41' ' ' ILE . 2.5 mp -136.31 127.07 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.467 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 3.6 mp -92.52 108.94 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.02 121.03 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.16 -45.35 7.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.78 148.25 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' SER . 3.6 p-10 -136.83 28.09 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -39.1 -46.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.78 162.26 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.53 -23.61 15.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.68 -53.3 6.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -101.74 129.67 47.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.022 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 1.6 m0 -118.24 130.68 56.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 108.031 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -95.1 107.83 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.43 178.48 18.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' CG ' HG13 ' A' ' 61' ' ' ILE . 18.6 tt0 -134.74 148.52 50.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.278 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 60' ' ' GLY . 31.5 p30 -147.81 169.35 19.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.423 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 6.3 p80 -38.42 -52.93 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 1.5 mtt180 -52.29 -47.45 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 153.78 -156.43 26.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.465 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.69 164.97 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.454 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 164.26 165.36 21.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.52 146.91 24.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 13.8 p90 -163.8 163.77 15.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.07 138.18 22.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 19.8 p -76.45 -7.14 54.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.77 14.01 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -115.34 -1.35 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -130.59 178.95 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.3 t -140.96 130.54 24.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.9 p -72.19 58.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -177.2 88.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.487 HD11 ' CB ' ' A' ' 19' ' ' LYS . 23.9 mt -46.49 -55.36 7.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 169.19 104.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.9 mt -125.76 98.86 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 49.54 80.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.1 t -77.58 130.68 37.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.404 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -44.9 115.43 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -175.26 74.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.39 78.84 9.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -164.73 83.86 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.1 t -107.57 98.29 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.54 169.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -121.0 -81.89 0.66 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.53 2.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.7 m -88.24 115.52 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.1 t -177.49 163.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 p -159.53 -60.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.993 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t 63.11 163.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.954 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.47 -151.87 18.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m 59.24 110.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.92 172.46 12.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.68 143.02 11.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.9 p -179.96 143.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.017 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.31 110.83 21.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pp -102.13 -13.46 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -90.2 135.81 33.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.65 157.68 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -109.44 142.32 40.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -89.02 -57.76 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.76 162.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 m -102.68 127.67 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . . . -134.52 161.13 35.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -80.33 100.58 8.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' CB ' HD12 ' A' ' 73' ' ' LEU . 2.0 mtpt -87.82 156.4 19.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.412 ' N ' HD23 ' A' ' 73' ' ' LEU . 18.9 m -151.25 147.16 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.479 ' CD ' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -102.98 124.03 47.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 124.84 21.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 79.9 mt -88.14 -40.5 13.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -118.15 163.16 17.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.52 116.57 23.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.61 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 42.3 t80 -105.79 176.55 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' ALA . 4.0 tt0 -171.12 99.42 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 33' ' ' GLU . . . -39.12 134.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -107.91 -34.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.66 -172.52 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -101.22 24.75 9.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -163.57 50.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -126.36 174.64 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.8 135.28 40.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -113.08 108.92 17.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.0 p90 -151.36 170.35 19.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -121.03 -179.01 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.96 149.76 47.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.12 -49.41 3.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -45.27 143.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.479 HD13 ' CD ' ' A' ' 21' ' ' ARG . 46.9 mm -93.43 147.94 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.41 127.94 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.447 ' CG2' ' HB3' ' A' ' 17' ' ' ALA . 3.7 mp -90.56 107.86 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' ARG . 57.4 t -74.49 124.49 32.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.06 -42.35 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.83 132.88 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -132.25 41.83 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -51.64 22.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -98.98 123.3 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.84 -27.12 64.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.518 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.8 OUTLIER -63.29 -50.53 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.518 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 51.3 m95 -124.28 127.39 47.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.572 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -111.07 133.38 53.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 107.989 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -96.97 107.75 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.26 178.56 18.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 21.8 tt0 -133.96 149.55 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' HIS . 33.9 p30 -147.9 169.47 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -38.74 -53.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -50.86 -48.19 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.7 -156.32 26.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.66 163.48 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.77 168.35 27.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.66 151.46 22.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.7 p90 -170.54 164.96 5.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -74.96 141.37 26.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.572 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 51.8 p -83.16 -10.31 58.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.87 16.31 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -113.13 -13.9 12.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.3 m -114.58 -179.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.2 t -138.13 135.45 35.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.0 p -74.36 57.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -177.08 96.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 19' ' ' LYS . 49.3 mt -55.59 -45.54 77.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -155.51 138.47 15.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.7 mt -59.35 104.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -116.16 104.34 11.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.8 m -110.17 108.86 19.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -65.68 154.87 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.93 95.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.11 136.39 53.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.7 127.99 53.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 p -130.29 136.36 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.46 171.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.69 -176.09 9.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.75 12.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.8 t -156.06 105.6 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.6 p -52.59 134.39 35.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.6 -58.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.29 168.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.959 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.37 63.57 0.58 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.24 123.82 47.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -50.62 161.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.41 100.3 2.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.6 p -146.64 -58.44 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.25 109.64 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.6 mt -117.28 -69.08 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 62.86 101.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tp -98.98 134.58 41.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -135.39 134.59 39.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.404 ' ND2' ' H ' ' A' ' 14' ' ' ASN . 2.7 p30 -75.92 -45.17 36.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -65.38 159.7 23.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.0 m -110.44 121.38 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.423 ' HB1' ' CG2' ' A' ' 43' ' ' ILE . . . -131.64 162.4 30.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.66 101.44 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.486 ' CB ' HD12 ' A' ' 73' ' ' LEU . 11.2 mttm -87.99 150.28 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.8 m -150.5 145.08 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.472 ' CD ' HD13 ' A' ' 41' ' ' ILE . 1.2 ttp180 -103.06 123.89 47.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 127.65 33.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.64 -42.67 13.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -119.59 168.9 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -88.83 115.27 26.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 74.6 t80 -106.43 173.03 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 40.1 tt0 -162.23 121.18 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.07 134.07 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 30' ' ' GLU . 7.5 p -109.27 -33.02 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 29' ' ' VAL . 2.7 mt-10 -100.58 -168.14 1.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -105.13 45.9 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 t30 176.36 46.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.73 175.34 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.85 132.9 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -112.28 109.81 19.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 7.1 p90 -148.99 172.14 15.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -121.94 -179.65 4.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -71.51 145.18 49.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.34 -41.43 3.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.0 mt-10 -50.89 142.93 10.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.763 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.472 HD13 ' CD ' ' A' ' 21' ' ' ARG . 41.5 mm -91.76 144.86 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.407 ' N ' HG22 ' A' ' 41' ' ' ILE . 2.8 mp -136.47 129.63 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.474 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.2 mp -94.08 109.67 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -73.22 121.88 24.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.35 -30.49 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.45 134.6 19.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.56 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 3.6 p-10 -131.33 50.04 2.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -80.79 -51.32 8.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.95 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -98.87 124.5 43.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.1 -21.89 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.542 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -69.6 -40.24 76.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 57.6 m95 -135.31 126.97 29.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.1 OUTLIER -113.14 133.04 55.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.015 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.03 110.13 22.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.99 178.18 18.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' CG ' HG13 ' A' ' 61' ' ' ILE . 1.7 tm-20 -134.24 146.51 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' HIS . 31.6 p30 -143.39 169.44 17.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.447 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 8.4 p80 -37.93 -54.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -50.53 -54.56 21.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.27 -156.28 27.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.475 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.64 165.13 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.749 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.462 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 164.83 167.88 26.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -89.39 150.94 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.36 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.2 p90 -168.94 162.96 7.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.06 141.05 26.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -78.25 -6.89 56.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -90.97 19.18 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -122.93 8.01 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.45 176.57 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.2 t -139.13 131.62 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -73.29 58.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -176.31 87.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.486 HD12 ' CB ' ' A' ' 19' ' ' LYS . 20.1 mt -46.51 -54.7 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.49 141.45 30.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.69 105.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 62.07 88.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.3 t -118.97 132.62 56.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.437 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.29 102.4 8.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.0 -61.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.98 143.45 39.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.96 144.15 51.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.9 m -107.67 108.64 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.6 p -149.87 124.26 9.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 173.89 137.72 2.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 170.99 19.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.8 m -136.12 165.02 26.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 109.993 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.4 p -178.09 169.01 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.1 p -155.59 -58.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.72 169.97 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.052 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.5 -161.03 8.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 m -152.26 163.57 39.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -114.3 167.52 10.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.2 -155.37 7.95 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -135.12 169.36 17.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -115.22 90.03 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.51 147.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -78.43 145.15 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.15 104.45 14.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -159.29 148.97 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -127.9 122.46 32.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -148.9 166.06 29.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.0 m -103.29 126.58 57.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . . . -157.68 156.59 32.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 96.23 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' CB ' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -87.92 153.22 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.8 m -147.14 152.16 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' CD ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.85 123.14 47.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 122.94 15.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.7 mt -84.21 -41.07 17.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -121.62 167.77 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.82 114.87 25.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.8 t80 -104.09 176.96 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 28' ' ' ALA . 19.4 tt0 -171.49 99.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -38.94 133.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 p -108.72 -34.77 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -83.87 -172.73 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -103.41 46.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 t30 174.66 47.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -126.32 175.24 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -98.86 135.6 40.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -113.21 109.06 18.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.626 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 12.5 p90 -150.51 167.59 26.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -175.94 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -78.03 130.48 36.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 107.08 -56.32 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 5.5 mt-10 -38.22 140.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.773 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.468 HD13 ' CD ' ' A' ' 21' ' ' ARG . 45.8 mm -86.26 148.03 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 mt -135.97 126.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.458 ' CG2' ' HB3' ' A' ' 17' ' ' ALA . 3.9 mp -88.95 108.89 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.5 t -73.85 128.39 36.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.95 -42.17 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.5 132.96 39.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 -131.46 31.41 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -51.12 68.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.3 m-20 -98.98 166.1 11.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.15 -35.01 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.497 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -54.88 -53.97 48.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 48.7 m95 -119.5 146.47 45.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.5 OUTLIER -131.82 131.33 42.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 108.033 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -94.78 110.45 22.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.1 178.3 18.66 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.6 tm-20 -134.21 147.45 50.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 36.8 p30 -147.9 170.21 18.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.489 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 6.2 p80 -37.44 -55.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.634 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.489 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -50.63 -46.29 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.98 -154.34 25.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.456 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.68 164.28 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 166.19 166.57 25.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.53 149.53 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 10.1 p90 -168.09 164.51 8.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.556 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.06 136.08 19.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.3 p -74.22 -10.76 59.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.78 10.78 14.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.556 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -114.28 7.73 16.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.76 173.49 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' ASN . 4.9 t -136.06 137.04 40.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.451 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.3 p -68.23 64.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 70' ' ' THR . 18.4 t-20 179.57 166.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.482 HD12 ' CB ' ' A' ' 19' ' ' LYS . 9.8 mt -131.14 -147.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.53 106.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 mt -81.87 70.31 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.33 -49.05 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.7 p -55.08 139.19 42.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -130.15 168.56 16.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -175.65 108.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.51 121.91 28.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -61.82 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.37 108.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -59.14 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.69 153.12 25.03 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.493 1.121 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 121.94 6.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.429 1.752 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 t -61.9 167.99 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.7 p -93.76 -61.15 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t -173.48 80.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.38 79.1 8.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.57 173.94 19.84 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.465 1.103 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -162.6 136.42 6.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -79.02 167.32 21.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.68 138.36 3.54 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.1 p -75.15 164.89 26.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.723 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 60.91 122.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -116.85 165.94 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -84.32 151.48 24.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 134.63 34.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -53.08 142.74 19.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -64.01 93.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 148.15 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.6 m -112.11 125.82 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.44 ' HB1' ' CG2' ' A' ' 43' ' ' ILE . . . -86.78 174.49 8.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -95.29 99.7 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.493 ' CB ' HD11 ' A' ' 73' ' ' LEU . 3.9 mttt -87.82 150.58 23.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.5 m -150.44 147.41 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.473 ' CD ' HD13 ' A' ' 41' ' ' ILE . 1.4 ttp85 -102.87 125.23 49.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.68 126.8 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.9 mt -88.86 -41.41 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -117.87 162.91 17.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.29 113.82 21.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 35.0 t80 -102.62 169.89 8.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -162.58 112.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.47 138.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 p -111.69 -30.7 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -99.11 -167.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -103.39 34.64 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -172.77 47.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -122.62 174.13 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.453 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -98.88 134.25 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -113.37 109.32 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 8.9 p90 -149.63 170.75 17.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -121.82 177.87 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -68.86 145.6 53.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.541 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.03 -44.65 2.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.32 142.63 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.473 HD13 ' CD ' ' A' ' 21' ' ' ARG . 45.5 mm -93.18 146.04 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.408 ' N ' HG22 ' A' ' 41' ' ' ILE . 3.0 mt -135.8 128.84 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.44 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 3.7 mp -90.08 107.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -73.31 126.4 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -100.15 -43.29 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.18 133.85 46.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.471 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 33.3 p-10 -133.54 47.4 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -52.9 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -98.87 122.22 41.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -28.63 67.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.523 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -60.7 -50.62 72.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.2 m95 -125.89 127.22 45.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -111.04 138.37 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -102.03 107.63 18.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.32 178.93 17.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -133.32 147.76 51.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' HIS . 34.4 p30 -144.07 169.67 17.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -37.54 -55.39 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.611 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.2 mtt-85 -50.24 -54.93 17.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.56 -155.18 26.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.81 164.27 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 166.56 169.77 30.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -88.87 153.35 21.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.0 p90 -173.0 163.78 3.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.54 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -74.99 141.83 27.16 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 51.7 p -82.61 -9.52 59.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -90.86 18.59 6.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.425 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -116.71 -8.19 11.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.96 176.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.0 t -137.13 129.47 29.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.7 p -71.09 60.74 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -178.6 91.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.493 HD11 ' CB ' ' A' ' 19' ' ' LYS . 33.3 mt -49.65 -54.98 15.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.8 t30 170.75 119.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.1 mt -127.18 110.3 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.57 -58.97 2.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.1 t -163.69 131.67 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.406 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 60.22 148.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.05 76.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.98 104.69 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 62.92 143.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.5 m -84.45 -36.91 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.2 t 60.88 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.84 -166.99 22.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 70.61 5.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.83 83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 m -79.49 -56.19 4.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.55 124.59 36.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.56 83.9 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.44 112.43 1.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.57 144.72 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.054 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -150.75 93.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.57 95.18 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.03 -58.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.08 111.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -134.12 85.56 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -177.29 162.16 1.9 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tp -164.59 105.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -172.37 135.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -106.3 104.31 13.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -142.1 174.62 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 m -106.36 130.26 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.444 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . . . -156.89 166.87 32.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 99.71 12.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' CB ' HD12 ' A' ' 73' ' ' LEU . 3.4 mttt -88.33 148.38 24.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.9 m -145.7 148.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.2 125.64 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 125.54 24.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.97 -40.07 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -120.45 163.83 17.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -85.59 112.06 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.615 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 23.9 t80 -99.72 177.05 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' ALA . 18.9 tt0 -171.23 100.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 33' ' ' GLU . . . -39.08 136.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.45 -33.85 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -82.49 -172.75 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -99.78 33.58 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 9.7 p-10 -176.04 50.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -123.04 175.35 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -100.9 136.0 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -114.7 107.83 15.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.615 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.7 p90 -151.04 170.43 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -117.0 -176.03 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -71.04 150.43 45.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 84.59 -50.6 4.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLY . 1.6 mt-10 -38.75 142.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 43.1 mm -91.04 146.49 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -136.55 125.97 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' A' ' 17' ' ' ALA . 3.8 mp -90.84 108.12 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -73.72 121.49 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -97.75 -45.35 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.56 133.93 47.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -133.96 39.68 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -52.52 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -98.86 140.12 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.4 -23.7 40.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.509 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -67.2 -53.1 33.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.509 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 44.7 m95 -116.55 144.95 43.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.5 OUTLIER -128.37 131.33 48.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 107.969 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -96.38 106.01 18.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.42 178.73 17.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' CG ' HG13 ' A' ' 61' ' ' ILE . 31.4 tt0 -132.21 151.96 51.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' GLY . 36.0 p30 -151.93 169.83 21.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -38.05 -54.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.578 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -51.55 -45.97 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.15 -155.15 25.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.439 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.71 161.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 167.64 167.25 28.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.522 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -88.65 149.89 23.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 12.7 p90 -167.67 163.84 9.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.518 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.01 138.46 23.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.567 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -76.48 -9.06 58.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -91.74 22.2 4.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.518 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -122.27 3.16 9.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.3 m -133.1 179.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.7 t -137.9 131.08 30.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 82.0 p -69.04 61.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' ASN . 5.1 t-20 172.74 108.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.497 HD12 ' CB ' ' A' ' 19' ' ' LYS . 29.5 mt -63.86 79.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' ASN . 42.4 p-10 177.44 159.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mt -89.56 108.64 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -44.02 134.31 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.38 131.45 29.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.64 144.1 56.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -171.44 93.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.24 140.37 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.45 107.39 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.87 -61.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.4 m -105.69 100.58 10.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 179.01 -169.41 40.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 70.88 5.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.88 172.88 12.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.11 161.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m 61.79 149.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 110.025 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.13 -58.53 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.22 137.87 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.8 p -124.47 -58.69 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.08 93.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.97 94.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.157 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.6 t -145.77 110.76 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.039 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.77 87.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mt -106.64 142.58 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.9 86.11 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.5 141.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 178.16 145.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -159.64 -56.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -71.63 165.29 24.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.9 m -105.26 129.06 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.435 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . . . -151.82 162.19 41.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -87.15 102.25 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.479 ' CB ' HD13 ' A' ' 73' ' ' LEU . 6.1 mttt -87.86 155.75 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.1 m -152.02 145.02 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 123.32 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.76 127.72 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.83 -40.02 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.442 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 20.1 m-85 -123.14 171.45 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.8 119.55 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 54.5 t80 -110.16 176.08 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -170.1 105.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -38.54 133.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 p -104.45 -29.96 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -98.24 -170.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -100.9 33.33 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -166.67 51.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -132.53 170.74 14.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -98.71 131.75 44.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m -106.35 110.89 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.4 p90 -152.27 170.03 21.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -120.35 -177.78 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 39' ' ' GLY . 1.7 t-80 -68.79 146.91 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 87.34 -52.44 4.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.43 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.7 mt-10 -38.28 140.47 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.735 . . . . 0.0 110.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.9 mm -93.46 146.22 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -135.72 134.02 51.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.492 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.0 mp -94.14 107.87 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.93 121.29 27.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mt -91.21 -41.21 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.71 132.95 39.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 5.7 p-10 -132.39 51.85 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.77 -34.81 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -102.4 111.71 24.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.6 -27.9 68.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.538 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 2.2 m-80 -65.85 -48.94 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.538 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 51.8 m95 -129.69 127.58 40.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 107.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -109.91 133.99 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -95.55 114.61 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.51 179.16 19.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -137.38 147.21 45.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 110.304 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 60' ' ' GLY . 40.2 p30 -144.79 169.81 17.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.441 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 11.5 p80 -38.33 -54.54 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.441 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -51.51 -44.63 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 150.66 -154.25 25.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.76 163.05 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.429 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 169.95 165.68 27.71 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.34 142.65 27.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.0 p90 -162.59 163.49 17.96 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -75.03 144.98 30.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.3 p -86.94 -4.14 59.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -92.62 15.74 13.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -113.53 -26.87 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 111.062 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.64 179.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.4 t -138.14 146.04 42.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.2 p -82.4 50.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -169.45 104.99 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.357 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.479 HD13 ' CB ' ' A' ' 19' ' ' LYS . 19.8 mt -68.62 -56.58 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -163.66 167.79 20.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.3 mm -81.77 88.19 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.46 -55.05 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 m 59.18 113.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 63.23 125.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -169.49 75.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.84 155.8 22.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -176.46 104.98 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.71 144.31 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.37 168.73 21.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -46.11 103.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.43 39.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.49 1.784 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 m -132.16 145.36 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.8 m 57.71 160.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -174.93 86.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 110.003 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t 70.54 147.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.4 123.03 0.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -166.13 124.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 p -143.4 161.07 39.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.72 137.66 8.96 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 t -173.02 118.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -177.4 126.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.336 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.96 90.07 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -129.89 124.81 34.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.79 -65.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -138.82 151.29 46.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.7 124.1 48.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -142.06 -179.3 6.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.92 122.41 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . . . -121.8 168.82 11.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -88.56 95.73 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' CB ' HD11 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -87.85 149.6 24.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.414 ' N ' HD23 ' A' ' 73' ' ' LEU . 20.4 m -141.24 150.56 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.53 123.55 47.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.24 122.93 18.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.2 mt -84.96 -42.48 14.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -122.02 163.25 19.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -84.97 112.99 21.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.604 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.5 t80 -99.49 177.27 5.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.3 tt0 -169.95 101.21 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -39.17 132.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.25 -35.37 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -83.71 -172.75 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -100.83 35.59 2.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -175.17 50.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.66 174.04 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -99.09 137.29 37.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -112.75 109.91 19.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.604 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 8.7 p90 -154.05 171.18 19.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -119.19 -176.48 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.363 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.75 151.15 43.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 84.66 -55.76 5.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' GLY . 3.0 mt-10 -38.79 142.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 110.255 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.466 ' CD1' HD21 ' A' ' 73' ' ' LEU . 42.8 mm -92.63 148.74 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 mp -136.05 124.04 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.5 mp -84.43 110.14 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.5 t -76.75 121.87 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.31 -43.73 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.24 132.89 43.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -131.91 27.23 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 t -48.51 -50.68 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.433 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 3.6 m-20 -99.74 167.08 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.05 -41.56 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.4 m-80 -48.07 -58.9 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.44 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 47.3 m95 -115.26 146.37 41.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.4 OUTLIER -129.08 138.75 52.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -103.16 107.17 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.57 179.08 17.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 13.0 tt0 -133.64 147.95 51.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 60' ' ' GLY . 34.4 p30 -148.24 170.18 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 5.3 p80 -37.6 -55.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.567 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -51.04 -46.17 61.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.2 -154.08 25.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 3.0 mt -101.76 165.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.03 166.34 23.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -88.53 147.1 24.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.3 p90 -166.11 164.02 11.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.5 Cg_endo -74.94 137.42 21.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 37.2 p -80.57 -4.88 55.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -84.85 -14.75 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.5 m-85 -82.04 -28.1 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.3 m -101.43 178.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 72' ' ' ASN . 3.6 t -140.09 128.23 22.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.7 p -69.11 62.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 70' ' ' THR . 1.7 t-20 177.18 92.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' A' ' 19' ' ' LYS . 56.4 mt -52.27 -49.35 64.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -166.9 152.25 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.1 mt -77.9 106.82 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.25 162.31 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 25.4 p -64.9 140.3 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -131.43 172.72 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -163.98 96.05 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.37 167.28 10.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.03 133.75 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.2 m -87.55 154.82 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.73 139.19 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.22 -161.76 2.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.09 28.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.539 1.81 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.01 164.3 12.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 t -80.41 164.74 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 p -154.19 124.97 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 110.019 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.8 152.78 19.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.54 163.93 10.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -148.84 -174.2 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.13 -60.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.16 -178.68 53.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 m -117.59 107.7 14.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.57 137.12 20.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.4 mt 65.77 77.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.94 81.13 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -156.1 71.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.6 111.96 2.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -101.28 100.87 11.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.42 152.73 3.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.0 m -97.92 125.76 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.37 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . . . -143.63 158.5 43.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -82.59 100.12 9.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' CB ' HD13 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -87.68 152.33 22.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' N ' HD22 ' A' ' 73' ' ' LEU . 19.0 m -147.03 146.93 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -102.96 122.92 45.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.19 128.79 38.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.5 mt -87.2 -38.72 16.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -126.24 164.64 20.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -84.84 119.13 24.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 63.3 t80 -107.14 173.27 6.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 21.1 tt0 -162.43 107.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.29 130.76 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 p -104.63 -35.98 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -86.36 -172.76 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -101.23 36.91 1.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -177.81 54.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -128.17 176.35 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.74 133.47 43.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 m -111.95 111.52 22.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.6 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 13.3 p90 -150.86 170.21 19.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -114.25 -176.15 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.27 141.57 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.87 -32.55 4.79 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -54.73 151.18 8.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.444 HD12 ' CD ' ' A' ' 21' ' ' ARG . 45.7 mm -93.72 147.84 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.8 mp -140.77 125.44 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 17' ' ' ALA . 3.9 mp -90.43 108.78 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.3 t -76.18 125.12 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mt -97.26 -32.61 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.79 133.5 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.562 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.5 p30 -132.6 38.7 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.61 -47.39 81.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.6 m-20 -98.96 161.98 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.78 -27.26 12.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.52 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -65.42 -49.56 68.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.52 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 50.0 m95 -123.68 144.14 49.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.051 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.1 OUTLIER -130.63 133.13 45.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.988 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -95.62 108.84 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.23 178.83 18.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' CG ' HG13 ' A' ' 61' ' ' ILE . 23.8 tt0 -135.96 150.47 49.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 58' ' ' HIS . 31.3 p30 -148.51 169.42 20.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . 11.5 p80 -38.34 -53.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' HG3' ' CE1' ' A' ' 58' ' ' HIS . 14.4 mtt-85 -51.0 -53.53 32.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.59 -156.92 28.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.471 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.62 165.01 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.462 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.24 166.16 23.75 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.63 150.65 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.7 p90 -168.55 163.2 8.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -74.97 137.14 21.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -76.04 -6.11 49.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.56 17.72 7.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -120.15 -1.82 10.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 m -127.28 174.86 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.7 t -135.47 132.56 37.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.0 p -73.53 57.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -177.12 94.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 19' ' ' LYS . 51.7 mt -53.67 -55.04 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -166.52 154.33 9.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.7 pt -76.88 106.73 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -88.93 -59.29 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.9 m 62.68 113.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.12 137.37 48.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -170.23 -61.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.67 173.74 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.58 82.34 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.2 t 54.84 98.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m 49.87 89.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.65 -149.75 0.57 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 79.21 2.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.3 p -174.17 158.55 3.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.7 p -171.25 114.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p 42.5 82.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -89.85 171.97 9.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.952 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.7 -164.77 12.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.443 1.09 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.34 162.28 1.89 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -170.62 154.29 4.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.56 -154.95 11.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 p 178.34 142.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -174.42 150.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.87 121.06 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -99.23 -58.33 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.12 109.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -156.37 156.07 33.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.63 -51.93 5.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.23 146.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.72 127.11 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.26 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . . . -140.82 171.49 14.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -86.13 99.35 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.509 ' HB2' ' CD1' ' A' ' 73' ' ' LEU . 1.4 mttt -88.44 145.0 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.457 ' CA ' HD23 ' A' ' 73' ' ' LEU . 18.1 m -141.86 147.66 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' CD ' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.37 122.93 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.235 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.77 128.95 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -87.78 -42.08 12.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.461 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 42.6 m-85 -118.59 170.18 9.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -88.05 126.65 35.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 46.8 t80 -117.84 176.66 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -171.13 117.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' CB ' ' OG1' ' A' ' 35' ' ' THR . . . -40.51 126.84 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.2 p -103.9 -32.82 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.29 -170.52 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -100.52 40.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -178.37 51.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -129.91 172.61 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.36 129.89 45.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.416 ' N ' HD22 ' A' ' 34' ' ' LEU . 1.8 m -105.47 114.93 29.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.6 p90 -157.87 171.75 19.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -123.77 176.52 6.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -63.18 148.16 48.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.88 -47.91 3.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.103 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.32 141.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.437 HD11 ' CD ' ' A' ' 21' ' ' ARG . 41.4 mm -91.49 144.46 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.418 ' N ' HG23 ' A' ' 41' ' ' ILE . 2.7 mp -135.87 126.71 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' GLU . 3.9 mp -89.59 108.9 19.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.47 121.21 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mt -93.23 -44.6 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.28 133.02 42.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' HB2' ' NE1' ' A' ' 53' ' ' TRP . 7.6 p-10 -130.74 37.06 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.63 -49.95 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.2 m-20 -98.69 165.7 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.3 -28.82 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.428 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -64.83 -51.49 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.428 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 54.2 m95 -118.9 139.99 50.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.042 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.529 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -125.88 132.47 52.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -95.13 109.48 21.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.34 179.05 17.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.479 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -136.01 147.3 47.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.757 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 58' ' ' HIS . 35.1 p30 -144.16 169.23 18.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -38.29 -52.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -51.56 -58.17 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.57 -157.49 29.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.479 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.92 153.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.429 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 177.36 166.74 34.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.58 151.58 22.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.3 p90 -169.39 162.77 7.34 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.56 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -74.98 136.91 21.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.529 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 30.4 p -76.96 -8.08 56.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -89.95 17.08 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.56 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -117.76 -1.7 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.962 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.83 176.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.9 t -133.93 164.15 27.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.2 p -114.66 66.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -148.71 -47.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.509 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 69.7 mt 61.02 94.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.2 t30 65.57 117.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.4 mt -107.05 115.5 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -42.8 -51.69 5.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.6 m 51.44 98.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.41 90.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -157.35 73.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.15 139.85 53.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -123.75 168.44 12.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.1 p -67.69 119.83 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 p -146.72 151.32 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.93 161.46 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.91 34.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.29 134.09 42.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.87 -62.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 p -179.26 144.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t 65.58 154.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.35 132.85 1.54 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.26 146.51 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -171.04 158.47 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.02 133.78 3.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.77 -58.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 0.721 . . . . 0.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.53 137.37 32.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.54 -59.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 62.52 104.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.256 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.91 136.88 48.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -165.47 150.95 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -67.51 125.66 26.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.9 146.1 22.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.8 m -104.46 127.84 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.46 ' HB1' ' CG2' ' A' ' 43' ' ' ILE . . . -119.12 165.83 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.06 104.44 12.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.45 ' CB ' HD13 ' A' ' 73' ' ' LEU . 5.9 mttt -87.85 148.23 24.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.414 ' N ' HD21 ' A' ' 73' ' ' LEU . 15.1 m -145.3 150.44 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.46 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -110.86 122.79 48.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.246 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 125.94 25.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.2 mt -86.49 -42.79 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 36.6 m-85 -118.44 171.08 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -89.2 121.15 31.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.4 t80 -112.85 175.89 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 2.9 mt-10 -170.45 114.3 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.53 134.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.5 p -108.31 -32.22 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -101.01 -171.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -100.65 46.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 t30 176.6 50.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.18 174.24 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.1 OUTLIER -98.69 132.46 44.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -110.16 112.47 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.396 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.8 p90 -154.26 171.96 18.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.99 172.41 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 147.97 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.599 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 89.13 -56.87 4.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.415 ' OE2' ' NE2' ' A' ' 58' ' ' HIS . 1.7 mt-10 -38.81 141.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 HD12 ' CD ' ' A' ' 21' ' ' ARG . 46.1 mm -92.27 146.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.0 mt -135.97 130.51 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.46 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 3.5 mp -92.07 107.88 19.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.15 122.16 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.38 -42.43 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.81 135.17 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.551 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 32.7 p-10 -131.24 46.47 2.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -77.32 -53.95 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 52' ' ' TRP . 2.0 t70 -98.99 123.85 43.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.59 -28.54 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -60.23 -49.08 79.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.541 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 49.4 m95 -127.65 126.46 42.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -111.86 133.05 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 107.959 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -94.83 112.67 24.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.31 179.08 19.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 61' ' ' ILE . 26.9 tt0 -135.27 150.69 50.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 58' ' ' HIS . 32.8 p30 -146.56 169.5 18.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 57' ' ' ASN . 6.1 p80 -37.54 -54.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 37.8 mtt-85 -50.83 -54.02 27.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.13 -155.14 26.32 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.79 165.24 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.455 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.93 167.94 27.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.84 147.61 24.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.0 p90 -166.3 163.54 11.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -75.0 139.44 24.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.565 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.0 p -79.24 -8.4 59.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.58 21.12 4.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -121.67 -3.49 9.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.04 175.02 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.7 t -137.27 153.18 50.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.5 p -101.69 56.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.37 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -129.12 -53.85 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 19' ' ' LYS . 45.0 mt 62.67 136.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -171.37 108.23 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.9 pt -88.17 102.67 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.66 100.35 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -164.98 126.85 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.68 158.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 178.57 93.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.17 -55.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 52.5 92.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.6 t 61.79 95.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.5 p -175.86 137.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.68 76.76 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.52 43.14 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.5 m -103.29 134.99 45.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.956 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -175.26 116.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -171.25 87.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 p -113.18 -59.48 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.39 -133.77 1.85 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -136.85 86.82 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.99 84.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.34 91.67 0.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.7 p -171.49 165.21 6.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.56 157.3 20.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.1 pt -45.25 158.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.12 -61.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.84 129.26 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -143.0 166.15 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -102.35 158.76 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.7 121.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.6 m -97.59 117.83 43.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . . . -79.49 163.01 25.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 5.2 ttm180 -79.91 100.04 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' CB ' HD13 ' A' ' 73' ' ' LEU . 4.0 mttm -87.86 149.63 24.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.411 ' N ' HD23 ' A' ' 73' ' ' LEU . 17.9 m -147.99 146.23 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' CD ' HD13 ' A' ' 41' ' ' ILE . 3.4 ttp85 -103.52 123.46 46.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.83 125.92 25.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.03 -41.39 14.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -120.99 172.19 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.7 129.15 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 54.5 t80 -122.33 171.63 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.548 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 26.9 tt0 -162.91 117.09 1.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.15 122.71 4.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p -92.28 -35.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -93.16 -172.88 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.9 24.51 6.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.23 56.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -132.58 174.38 10.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -102.12 130.37 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.47 HG23 ' CD ' ' A' ' 59' ' ' ARG . 1.0 OUTLIER -109.42 118.33 36.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.3 p90 -155.43 171.77 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -123.57 177.72 5.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -65.88 147.95 52.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.46 -47.52 3.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -45.58 142.98 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.454 HD13 ' CD ' ' A' ' 21' ' ' ARG . 47.6 mm -94.71 147.72 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.45 126.53 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 17' ' ' ALA . 3.8 mp -90.41 107.89 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 47.2 t -72.94 125.41 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -97.74 -43.53 7.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.47 134.47 41.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -129.48 28.09 5.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.5 -51.76 11.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.15 166.13 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.02 -28.69 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -53.54 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -113.91 137.01 52.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -124.39 132.46 53.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -97.07 106.27 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -131.89 176.5 19.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.469 1.105 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.479 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -130.27 147.18 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' HIS . 37.7 p30 -146.87 169.59 18.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.1 t-80 -37.26 -55.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.612 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.47 ' CD ' HG23 ' A' ' 35' ' ' THR . 3.4 mtt-85 -50.4 -49.22 55.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 156.24 -154.37 25.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.479 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -102.19 162.09 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 167.85 171.45 33.82 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -92.51 152.98 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.6 p90 -172.31 163.37 4.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.561 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -74.95 137.35 21.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.554 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 25.2 p -77.78 -8.26 57.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.49 11.04 15.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.561 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -112.58 -4.36 14.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.1 m -125.3 175.11 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.8 t -134.36 131.34 38.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.3 p -71.91 62.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 174.46 98.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.48 HD13 ' CB ' ' A' ' 19' ' ' LYS . 30.8 mt -56.77 -54.05 50.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -177.09 155.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.3 mm -106.16 117.88 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -89.59 116.03 27.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.6 p -53.18 109.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.59 59.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.37 71.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.23 78.78 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 62.21 149.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.33 143.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.7 p -88.12 151.62 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.14 160.76 2.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.82 38.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 t -76.13 -59.38 2.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.6 p -129.15 138.96 52.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.933 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -173.31 166.9 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.89 162.27 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.94 -161.18 9.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -176.23 151.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.011 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.0 p -177.41 165.06 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.99 -172.58 23.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.05 109.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.761 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.18 83.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.92 150.28 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.69 149.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tp -101.48 -63.03 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.3 98.28 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -163.88 -55.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -142.61 106.7 4.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 m -98.02 122.94 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . . . -120.01 155.35 33.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.64 98.76 4.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' CB ' HD11 ' A' ' 73' ' ' LEU . 11.8 mttt -88.01 157.12 18.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.8 m -153.54 146.29 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.469 ' CD ' HD12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.57 122.97 46.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.5 127.93 34.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.9 mt -88.32 -42.75 12.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.56 166.69 13.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -86.29 112.4 21.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.622 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.9 t80 -101.07 177.22 5.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' ALA . 14.3 tt0 -171.77 102.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -38.94 134.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -110.96 -33.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.58 -172.63 4.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -99.7 34.42 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -175.02 54.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.83 173.4 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -98.94 135.97 39.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.25 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.422 ' N ' HD22 ' A' ' 34' ' ' LEU . 4.2 m -111.03 114.49 27.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.0 p90 -158.79 171.36 20.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -119.65 -176.18 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.05 145.64 42.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.596 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.33 -44.0 2.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -48.7 142.48 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.469 HD12 ' CD ' ' A' ' 21' ' ' ARG . 41.1 mm -90.53 146.65 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.81 131.47 47.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.2 mp -93.42 109.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.32 126.67 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.5 -37.92 9.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.12 135.9 36.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.558 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 3.8 p30 -134.39 47.73 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -79.59 -50.12 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.84 123.53 43.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.71 -25.71 62.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.551 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -64.62 -44.97 88.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.551 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.4 m95 -131.41 127.09 36.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 107.988 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.558 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -112.11 133.21 54.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 107.947 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -95.11 113.62 25.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.73 178.08 20.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.4 tm-20 -136.89 147.86 46.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 60' ' ' GLY . 33.4 p30 -145.71 169.31 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' ASN . 4.2 p80 -38.98 -53.29 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.559 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.408 ' NH1' ' CG2' ' A' ' 35' ' ' THR . 20.4 mtt180 -51.61 -45.18 63.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.27 -156.81 26.87 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.47 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.7 mp -101.56 165.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 164.7 165.37 21.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -88.59 143.21 27.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 10.8 p90 -161.3 163.2 20.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.531 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.01 141.59 26.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.557 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -79.51 -3.81 48.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -93.79 19.05 9.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -120.56 -1.64 10.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.99 174.89 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.8 t -136.73 133.88 36.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.5 p -73.25 58.15 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -177.93 98.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.488 HD11 ' CB ' ' A' ' 19' ' ' LYS . 28.3 mt -57.25 -56.31 23.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -151.59 143.7 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.23 103.51 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -135.23 139.67 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.6 t -90.79 153.28 20.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.15 103.92 9.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.97 65.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.4 173.35 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.18 121.82 15.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.69 154.56 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m 61.62 146.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -143.56 -162.19 9.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -48.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.555 1.819 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -42.92 138.45 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p 178.46 170.24 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.435 1.084 . . . . 0.0 111.024 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.14 85.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 m -139.31 -58.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.27 163.1 50.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.63 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p -92.71 138.84 31.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.71 169.57 34.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.71 114.63 28.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.025 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.72 81.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 mt 63.54 137.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -143.25 90.9 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.42 162.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 60.89 114.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -74.55 124.51 26.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -153.33 131.16 11.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.2 m -112.4 174.48 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.84 172.4 9.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.68 107.52 19.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HB2' ' CD1' ' A' ' 73' ' ' LEU . 5.4 mttt -87.8 146.1 25.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.31 147.63 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -105.11 125.14 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 126.99 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.1 mt -86.51 -42.03 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -121.23 170.24 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.87 115.26 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.616 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.3 t80 -103.64 175.49 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.52 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 44.6 tt0 -166.95 102.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.42 ' N ' ' OG1' ' A' ' 35' ' ' THR . . . -41.07 129.46 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.8 p -96.54 -33.25 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -90.69 -172.88 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.75 15.67 26.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -148.74 41.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -119.87 171.38 8.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.0 OUTLIER -98.92 129.16 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.452 HG21 ' CD ' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -111.72 120.74 43.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.616 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 11.7 p90 -155.98 169.08 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -178.59 3.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -80.29 131.17 35.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.25 -49.73 0.86 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -42.78 146.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 21' ' ' ARG . 47.7 mm -91.48 146.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 mt -136.04 127.99 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' GLU . 4.0 mp -89.56 107.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.5 t -72.97 125.68 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -99.39 -39.08 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.42 136.57 43.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.553 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 19.6 p-10 -135.05 45.63 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -51.73 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.74 123.92 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.66 -25.92 64.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.479 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -66.21 -52.22 50.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.1 m95 -121.16 128.44 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.1 OUTLIER -113.58 137.46 51.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.06 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -99.76 108.06 20.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.9 179.25 17.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.7 tm-20 -133.4 148.9 51.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 58' ' ' HIS . 28.9 p30 -144.86 169.51 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -38.36 -53.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.524 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 33.3 mtt-85 -51.56 -54.97 21.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.86 -156.44 28.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.47 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.64 165.39 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.459 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 166.13 178.98 39.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -98.26 150.57 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.5 p90 -170.34 163.81 5.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.571 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.93 143.55 29.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.565 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -82.21 -11.17 58.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.1 8.15 19.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -110.21 3.35 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.1 m -134.07 173.48 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.4 t -137.67 141.86 41.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.8 p -92.73 75.01 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.396 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.4 m-20 -155.42 -51.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 20.6 mt 67.97 -70.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' ASN . 0.8 OUTLIER 63.33 157.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.5 mm 53.26 93.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -174.88 -52.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.274 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.7 m -119.4 111.4 18.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.27 146.34 47.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.8 -64.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 59.47 91.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -123.67 93.59 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.3 p -87.49 143.22 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.85 -55.29 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -157.02 -177.56 30.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 86' ' ' SER . 18.2 Cg_endo -75.01 -69.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 85' ' ' PRO . 1.6 p 87.7 -41.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m 64.22 -174.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.501 1.125 . . . . 0.0 110.956 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m 60.64 92.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -142.16 116.72 9.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.06 -160.45 8.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 p -109.31 159.65 16.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -139.3 140.49 37.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.97 -166.35 27.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -61.2 102.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.28 139.34 24.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.4 tt -66.19 149.83 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -99.58 80.43 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -68.81 -62.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -128.61 165.82 20.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -139.82 -56.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.9 135.8 1.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.73 126.96 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB1' ' CG2' ' A' ' 43' ' ' ILE . . . -145.4 177.17 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.52 101.83 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HB2' ' CD1' ' A' ' 73' ' ' LEU . 9.4 mtmt -88.11 147.57 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' N ' HD23 ' A' ' 73' ' ' LEU . 13.6 m -143.49 149.57 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.467 ' HB3' ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -103.07 122.82 45.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.17 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.79 122.76 17.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.5 mt -85.69 -40.96 15.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -122.09 165.91 15.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.04 111.85 21.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 41.4 t80 -97.17 172.21 7.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.39 116.67 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.17 134.22 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.16 -31.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -98.25 -168.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -101.63 36.0 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -175.94 48.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -121.0 176.41 5.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -98.46 135.76 39.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -116.32 109.13 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 7.7 p90 -149.68 170.63 18.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -113.05 -176.11 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -80.64 134.46 35.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.565 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.22 -50.44 0.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -47.58 140.56 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.325 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' CD1' ' HD3' ' A' ' 21' ' ' ARG . 48.6 mm -89.85 149.3 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.55 136.87 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.482 ' CD1' ' N ' ' A' ' 43' ' ' ILE . 3.1 mp -93.24 107.68 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.86 126.62 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mt -101.38 -39.02 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.41 133.48 40.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.559 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -138.5 45.59 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.57 10.12 26.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.74 122.92 12.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.66 -16.92 59.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.524 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.1 m-80 -79.95 -48.05 14.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.524 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 54.0 m95 -126.5 143.48 51.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -127.88 132.72 49.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -96.3 115.15 26.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.81 178.97 20.22 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -134.39 147.05 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' HIS . 35.0 p30 -145.44 169.32 18.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -38.52 -53.97 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.28 -51.26 46.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.076 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 159.07 -156.71 27.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.79 161.85 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 165.4 168.9 28.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.6 155.74 19.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 0.797 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.0 p90 -172.51 162.34 4.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.47 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.0 137.72 22.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.427 1.751 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 38.6 p -79.55 -13.58 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.95 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -81.25 3.1 25.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.47 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -101.4 -20.76 15.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.7 m -110.29 -179.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.467 ' CG2' ' HB3' ' A' ' 21' ' ' ARG . 3.3 t -140.49 152.18 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.451 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.8 p -100.6 78.56 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -159.96 -52.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 22.3 mt 68.6 138.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -41.82 105.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.0 mm 53.2 100.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.83 152.09 24.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.0 m 63.2 102.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.373 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.77 98.66 9.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -163.26 -62.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.65 81.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -137.08 -61.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.8 t 57.49 97.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -73.9 -56.9 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.61 -165.47 21.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 58.55 4.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 t -65.45 156.68 31.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.401 ' HG ' ' N ' ' A' ' 88' ' ' GLY . 44.8 t 63.34 153.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.401 ' N ' ' HG ' ' A' ' 87' ' ' SER . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -87.79 153.42 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.1 m -150.91 145.25 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.784 ' HD3' HD11 ' A' ' 41' ' ' ILE . 2.6 ttp85 -103.1 122.89 45.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 129.12 39.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.622 HD11 ' HB ' ' A' ' 70' ' ' THR . 93.6 mt -90.64 -40.35 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -119.45 161.71 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.48 113.97 21.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.4 t80 -103.02 174.5 5.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 1.7 tt0 -164.49 116.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.96 137.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.63 HG12 ' OE2' ' A' ' 33' ' ' GLU . 5.0 p -111.79 -30.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.19 -169.7 1.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -100.59 30.32 4.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -170.38 51.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.63 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -125.34 175.4 7.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.97 131.3 45.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -111.65 113.3 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.3 p90 -153.6 169.06 24.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.59 -176.12 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -74.52 148.06 41.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.63 -46.4 3.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.44 141.98 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.784 HD11 ' HD3' ' A' ' 21' ' ' ARG . 49.1 mm -90.24 148.35 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.69 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -136.93 128.86 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.5 mp -92.6 107.8 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -74.28 121.89 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.85 -42.17 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.98 132.95 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -135.31 40.58 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -48.93 77.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.9 t0 -98.85 164.92 12.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.64 -25.55 13.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -66.02 -52.55 48.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.514 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 47.8 m95 -119.55 140.62 50.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.5 OUTLIER -125.05 131.12 53.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -94.57 108.74 20.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.99 179.17 17.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 25.0 tt0 -134.25 150.33 51.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.789 . . . . 0.0 110.355 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.569 HD21 HD22 ' A' ' 34' ' ' LEU . 29.6 p30 -150.02 169.63 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -39.02 -52.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -45.19 64.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 150.71 -155.68 26.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 3.1 mt -101.79 162.8 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.66 168.71 28.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.86 152.52 21.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.561 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.8 p90 -170.69 164.74 5.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.561 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.05 141.37 26.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 34.7 p -82.74 -10.32 58.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -89.46 15.44 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.526 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -112.65 -14.92 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.45 177.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.622 ' HB ' HD11 ' A' ' 23' ' ' LEU . 5.3 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.86 151.64 22.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 42' ' ' ILE . 14.4 m -150.6 148.38 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.676 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.54 123.08 46.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 128.88 37.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 70' ' ' THR . 91.2 mt -88.52 -39.96 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -123.6 165.57 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -86.68 112.0 21.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 44.1 t80 -102.89 175.91 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -167.72 106.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.54 135.67 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.8 -34.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.02 -172.52 4.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.37 29.35 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -172.09 55.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -129.88 174.35 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.66 135.23 40.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -115.93 110.04 18.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 11.7 p90 -148.94 168.53 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.79 -177.54 3.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -80.56 127.73 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.16 -48.06 0.98 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -44.81 142.78 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.676 HD11 ' HD3' ' A' ' 21' ' ' ARG . 47.4 mm -85.14 148.2 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -137.25 125.31 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 43' ' ' ILE . 4.1 mp -89.61 107.94 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -74.21 125.34 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 mt -95.5 -41.91 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.63 133.6 36.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.578 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.1 p-10 -130.91 29.74 4.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -49.36 71.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.4 m-20 -99.03 165.3 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.96 -38.19 7.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.516 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -51.8 -54.45 28.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.516 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 46.7 m95 -119.94 147.81 44.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -132.82 133.21 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 107.982 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -94.34 114.03 26.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.62 175.98 22.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 29.7 tt0 -133.99 151.35 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD22 ' A' ' 34' ' ' LEU . 29.7 p30 -148.8 169.37 20.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -38.77 -52.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.605 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -51.41 -52.91 41.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.66 -157.36 28.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.66 165.16 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.472 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 163.65 167.7 24.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.72 150.21 23.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.786 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.2 p90 -168.02 164.36 8.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.5 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.99 137.07 21.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.525 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.5 p -75.78 -8.76 57.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -88.96 14.18 11.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.2 m-85 -116.81 4.46 12.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.8 m -133.16 175.17 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.669 ' HB ' HD21 ' A' ' 23' ' ' LEU . 7.4 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.414 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -87.87 153.17 21.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 42' ' ' ILE . 19.0 m -148.97 146.78 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.783 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.28 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 129.16 39.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.666 HD11 ' HB ' ' A' ' 70' ' ' THR . 91.7 mt -92.52 -36.1 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -128.5 163.48 24.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -84.47 112.57 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 45.3 t80 -105.17 151.08 24.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.81 112.76 8.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -40.42 138.01 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.615 HG12 ' OE1' ' A' ' 33' ' ' GLU . 4.5 p -111.42 -31.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.75 -171.2 2.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.13 38.86 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 8.8 p-10 -177.99 46.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.615 ' OE1' HG12 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -119.62 172.22 7.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.507 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.27 135.38 39.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -117.4 108.52 15.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 6.4 p90 -146.56 168.32 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.97 -178.49 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -81.02 128.93 34.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.547 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.36 -47.85 1.0 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -44.01 146.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.783 HD11 ' HD3' ' A' ' 21' ' ' ARG . 43.2 mm -91.98 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.748 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.7 mp -136.44 127.73 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.239 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.658 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.14 109.27 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 49.9 t -73.12 121.82 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.07 -44.99 8.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -133.45 137.05 45.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -134.99 40.04 2.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.7 t -58.43 -51.47 69.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 5.9 t0 -98.98 164.23 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.08 -30.48 11.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.504 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -61.39 -53.0 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.504 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 46.3 m95 -116.94 145.14 43.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 1.0 OUTLIER -130.46 130.7 44.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -94.84 108.46 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.97 178.28 18.27 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -134.28 146.03 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 0.804 . . . . 0.0 110.258 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.507 HD21 HD22 ' A' ' 34' ' ' LEU . 35.7 p30 -146.04 169.96 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.593 ' CD2' ' H ' ' A' ' 59' ' ' ARG . 2.7 p80 -38.4 -54.71 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.622 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.593 ' H ' ' CD2' ' A' ' 58' ' ' HIS . 1.2 mtt180 -50.87 -45.17 59.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.12 -155.16 25.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.77 164.23 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.33 166.21 23.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.51 151.22 22.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 0.727 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -168.36 162.43 8.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.03 135.71 19.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.596 1.84 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.1 p -73.77 -6.29 46.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -89.54 8.1 32.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.2 m-85 -110.56 5.27 21.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.07 173.71 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.666 ' HB ' HD11 ' A' ' 23' ' ' LEU . 2.7 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 7.9 ttt180 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -88.42 149.55 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 42' ' ' ILE . 24.3 m -148.5 149.66 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.67 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.01 126.8 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.329 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.62 126.0 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 ' HB ' ' A' ' 70' ' ' THR . 97.0 mt -87.44 -40.58 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -120.59 166.04 14.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -89.57 114.35 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 79.5 t80 -105.91 174.04 6.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 11.5 tt0 -162.58 114.32 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.08 135.24 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.737 HG12 ' OE2' ' A' ' 33' ' ' GLU . 5.5 p -109.02 -32.96 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -91.51 -173.28 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -94.83 14.7 20.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -156.86 58.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.737 ' OE2' HG12 ' A' ' 29' ' ' VAL . 1.5 mt-10 -130.21 173.39 10.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.522 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.55 134.14 41.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -115.73 109.35 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 7.3 p90 -148.35 170.23 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -116.97 -175.98 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.4 148.27 41.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.592 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 -46.68 3.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.3 mt-10 -44.07 142.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.67 HD11 ' HD3' ' A' ' 21' ' ' ARG . 42.5 mm -89.84 146.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.736 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -136.63 126.02 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.96 107.94 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 46.1 t -72.83 123.97 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -97.31 -44.13 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.76 132.92 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -132.77 33.03 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.64 -51.96 63.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.443 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.7 m-20 -98.87 167.13 10.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.93 -33.44 8.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.7 m-80 -57.16 -57.06 14.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.477 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 45.5 m95 -115.11 143.25 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.028 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.8 OUTLIER -127.31 133.05 50.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.0 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -97.02 106.75 19.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.75 174.96 20.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' CG ' HG13 ' A' ' 61' ' ' ILE . 3.4 tm-20 -130.46 148.69 52.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.746 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.522 HD21 HD22 ' A' ' 34' ' ' LEU . 30.9 p30 -147.06 169.18 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.451 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 7.6 p80 -39.13 -52.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.649 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.411 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -51.13 -49.85 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.37 -157.62 28.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.64 163.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.452 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 163.95 168.68 26.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.46 157.08 18.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 12.9 p90 -174.32 163.77 2.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.465 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.6 Cg_endo -74.9 140.58 25.92 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.065 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.559 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -79.3 -8.3 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.84 19.57 5.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -120.98 3.13 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.18 177.88 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 21' ' ' ARG . 2.9 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.89 154.34 20.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 42' ' ' ILE . 24.6 m -149.83 148.34 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.807 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.16 122.95 45.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 124.02 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -82.53 -44.52 15.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 22.5 m-85 -121.26 165.82 14.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -85.29 118.24 24.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.614 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.2 t80 -104.37 175.66 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.518 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 38.9 tt0 -167.98 114.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -40.02 134.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.556 HG12 ' OE1' ' A' ' 33' ' ' GLU . 7.2 p -109.48 -31.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.01 -168.42 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.16 45.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 t30 175.69 56.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.556 ' OE1' HG12 ' A' ' 29' ' ' VAL . 1.2 mt-10 -133.45 175.78 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.78 133.25 43.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -110.36 109.05 19.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.5 p90 -150.73 172.56 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -119.32 -175.91 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -74.81 149.65 39.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.595 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 86.7 -54.88 4.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.1 mt-10 -38.91 142.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.807 HD11 ' HD3' ' A' ' 21' ' ' ARG . 44.2 mm -91.55 147.17 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.0 mt -135.97 128.34 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.633 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -88.88 108.37 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' ARG . 44.1 t -73.0 126.05 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.38 -43.02 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.12 133.02 38.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.6 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 12.9 p-10 -129.75 46.54 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.41 -52.21 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -98.79 122.79 42.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.17 -29.65 66.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.542 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -59.32 -47.3 85.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.3 m95 -130.25 126.39 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 108.012 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.6 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -111.41 133.03 54.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 107.957 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -96.12 110.32 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.09 177.65 19.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -134.71 147.2 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.518 HD21 HD22 ' A' ' 34' ' ' LEU . 31.6 p30 -144.49 169.24 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.452 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 8.7 p80 -38.39 -53.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -51.08 53.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.76 -156.53 27.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.55 164.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 166.62 169.45 30.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -91.41 149.63 21.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.2 p90 -168.73 163.42 8.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -75.07 142.7 27.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.535 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.4 p -84.85 -3.18 58.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.47 12.11 21.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -109.61 -25.35 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 m -103.58 -179.51 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 21' ' ' ARG . 5.6 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.443 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -87.88 151.82 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 42' ' ' ILE . 30.2 m -146.04 149.59 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -105.47 125.16 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HA ' HG12 ' A' ' 69' ' ' VAL . . . -62.9 123.89 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.518 HD21 ' HB ' ' A' ' 70' ' ' THR . 83.7 mt -84.82 -42.23 15.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -120.84 166.57 13.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -87.0 111.83 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.598 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 21.5 t80 -99.5 177.34 5.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.9 tm-20 -172.84 100.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.83 136.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 p -107.4 -30.3 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -99.32 -176.54 3.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.231 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -97.61 48.18 1.02 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -179.63 45.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.489 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -130.64 173.89 10.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.501 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.65 136.28 38.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -114.09 108.55 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.4 p90 -152.07 170.81 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -115.85 -176.14 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.86 149.49 41.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.554 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.01 -45.84 3.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.96 145.6 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.609 HD11 ' HD3' ' A' ' 21' ' ' ARG . 44.0 mm -92.88 145.81 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.817 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.5 mp -136.31 127.07 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.682 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.6 mp -92.52 108.94 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.02 121.03 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.16 -45.35 7.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.78 148.25 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' SER . 3.6 p-10 -136.83 28.09 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -39.1 -46.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.78 162.26 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.53 -23.61 15.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.68 -53.3 6.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -101.74 129.67 47.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.022 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 1.6 m0 -118.24 130.68 56.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 108.031 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -95.1 107.83 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.43 178.48 18.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.564 ' OE1' HD11 ' A' ' 61' ' ' ILE . 18.6 tt0 -134.74 148.52 50.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.278 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.501 HD21 HD22 ' A' ' 34' ' ' LEU . 31.5 p30 -147.81 169.35 19.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.423 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 6.3 p80 -38.42 -52.93 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 1.5 mtt180 -52.29 -47.45 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 153.78 -156.43 26.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.564 HD11 ' OE1' ' A' ' 56' ' ' GLU . 2.8 mp -101.69 164.97 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.471 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 164.26 165.36 21.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.52 146.91 24.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 13.8 p90 -163.8 163.77 15.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.07 138.18 22.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 19.8 p -76.45 -7.14 54.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.77 14.01 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -115.34 -1.35 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 22' ' ' ALA . 34.2 m -130.59 178.95 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.518 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.3 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' C ' HG13 ' A' ' 20' ' ' VAL . 2.0 mtpt -87.82 156.4 19.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.9 m -151.25 147.16 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.821 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -102.98 124.03 47.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 124.84 21.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.609 HD11 ' HB ' ' A' ' 70' ' ' THR . 79.9 mt -88.14 -40.5 13.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -118.15 163.16 17.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.52 116.57 23.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.61 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 42.3 t80 -105.79 176.55 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' ALA . 4.0 tt0 -171.12 99.42 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB1' ' CB ' ' A' ' 33' ' ' GLU . . . -39.12 134.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -107.91 -34.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.66 -172.52 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -101.22 24.75 9.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -163.57 50.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.498 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -126.36 174.64 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.527 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.8 135.28 40.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -113.08 108.92 17.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.0 p90 -151.36 170.35 19.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -121.03 -179.01 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.96 149.76 47.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.12 -49.41 3.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -45.27 143.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.821 HD11 ' HD3' ' A' ' 21' ' ' ARG . 46.9 mm -93.43 147.94 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.694 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -136.41 127.94 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.7 mp -90.56 107.86 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' ARG . 57.4 t -74.49 124.49 32.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.06 -42.35 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.83 132.88 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.549 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -132.25 41.83 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -51.64 22.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -98.98 123.3 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.84 -27.12 64.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.517 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.8 OUTLIER -63.29 -50.53 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.517 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 51.3 m95 -124.28 127.39 47.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -111.07 133.38 53.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 107.989 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -96.97 107.75 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.26 178.56 18.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 21.8 tt0 -133.96 149.55 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.527 HD21 HD22 ' A' ' 34' ' ' LEU . 33.9 p30 -147.9 169.47 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -38.74 -53.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -50.86 -48.19 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.7 -156.32 26.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.66 163.48 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.77 168.35 27.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.66 151.46 22.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.7 p90 -170.54 164.96 5.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -74.96 141.37 26.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.573 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 51.8 p -83.16 -10.31 58.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.87 16.31 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -113.13 -13.9 12.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 20' ' ' VAL . 32.3 m -114.58 -179.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.609 ' HB ' HD11 ' A' ' 23' ' ' LEU . 9.2 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -87.99 150.28 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.8 m -150.5 145.08 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.78 ' HD3' HD11 ' A' ' 41' ' ' ILE . 1.2 ttp180 -103.06 123.89 47.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 127.65 33.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.653 HD21 ' HB ' ' A' ' 70' ' ' THR . 96.9 mt -86.64 -42.67 13.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -119.59 168.9 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -88.83 115.27 26.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 74.6 t80 -106.43 173.03 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 40.1 tt0 -162.23 121.18 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.07 134.07 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG12 ' OE2' ' A' ' 33' ' ' GLU . 7.5 p -109.27 -33.02 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -100.58 -168.14 1.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -105.13 45.9 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 t30 176.36 46.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -124.73 175.34 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.509 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.85 132.9 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -112.28 109.81 19.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 7.1 p90 -148.99 172.14 15.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -121.94 -179.65 4.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -71.51 145.18 49.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.34 -41.43 3.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.551 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 2.0 mt-10 -50.89 142.93 10.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.763 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.78 HD11 ' HD3' ' A' ' 21' ' ' ARG . 41.5 mm -91.76 144.86 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -136.47 129.63 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.2 mp -94.08 109.67 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -73.22 121.88 24.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.35 -30.49 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.45 134.6 19.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.593 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 3.6 p-10 -131.33 50.04 2.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -80.79 -51.32 8.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.95 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -98.87 124.5 43.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.1 -21.89 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.542 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -69.6 -40.24 76.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 57.6 m95 -135.31 126.97 29.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -113.14 133.04 55.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.015 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.03 110.13 22.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.99 178.18 18.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' CG ' HG13 ' A' ' 61' ' ' ILE . 1.7 tm-20 -134.24 146.51 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.509 HD21 HD22 ' A' ' 34' ' ' LEU . 31.6 p30 -143.39 169.44 17.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.551 ' HE2' ' CD ' ' A' ' 40' ' ' GLU . 8.4 p80 -37.93 -54.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -50.53 -54.56 21.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.27 -156.28 27.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.475 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.64 165.13 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.749 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.475 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 164.83 167.88 26.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -89.39 150.94 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.36 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.2 p90 -168.94 162.96 7.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.06 141.05 26.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -78.25 -6.89 56.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -90.97 19.18 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -122.93 8.01 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.45 176.57 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.653 ' HB ' HD21 ' A' ' 23' ' ' LEU . 7.2 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.92 153.22 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 42' ' ' ILE . 24.8 m -147.14 152.16 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.741 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.85 123.14 47.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 122.94 15.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.46 HD21 ' HB ' ' A' ' 70' ' ' THR . 97.7 mt -84.21 -41.07 17.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -121.62 167.77 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.82 114.87 25.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.8 t80 -104.09 176.96 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 28' ' ' ALA . 19.4 tt0 -171.49 99.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.473 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.94 133.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 p -108.72 -34.77 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -83.87 -172.73 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -103.41 46.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 t30 174.66 47.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 1.2 mt-10 -126.32 175.24 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.49 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.86 135.6 40.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -113.21 109.06 18.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.626 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 12.5 p90 -150.51 167.59 26.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -175.94 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -78.03 130.48 36.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 107.08 -56.32 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.423 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 5.5 mt-10 -38.22 140.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.773 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.741 HD11 ' HD3' ' A' ' 21' ' ' ARG . 45.8 mm -86.26 148.03 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.746 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mt -135.97 126.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -88.95 108.89 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.5 t -73.85 128.39 36.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.95 -42.17 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.5 132.96 39.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 37.4 p-10 -131.46 31.41 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -51.12 68.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.3 m-20 -98.98 166.1 11.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.15 -35.01 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.497 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -54.88 -53.97 48.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 48.7 m95 -119.5 146.47 45.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.5 OUTLIER -131.82 131.33 42.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 108.033 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -94.78 110.45 22.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.1 178.3 18.66 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.6 tm-20 -134.21 147.45 50.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.49 HD21 HD22 ' A' ' 34' ' ' LEU . 36.8 p30 -147.9 170.21 18.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 6.2 p80 -37.44 -55.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.634 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.49 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -50.63 -46.29 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.98 -154.34 25.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.68 164.28 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 166.19 166.57 25.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.53 149.53 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 10.1 p90 -168.09 164.51 8.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.06 136.08 19.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.3 p -74.22 -10.76 59.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.78 10.78 14.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -114.28 7.73 16.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.76 173.49 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 21' ' ' ARG . 4.9 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -87.82 150.58 23.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 42' ' ' ILE . 25.5 m -150.44 147.41 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.855 ' HD3' HD11 ' A' ' 41' ' ' ILE . 1.4 ttp85 -102.87 125.23 49.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.68 126.8 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.625 HD11 ' HB ' ' A' ' 70' ' ' THR . 91.9 mt -88.86 -41.41 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -117.87 162.91 17.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.29 113.82 21.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 35.0 t80 -102.62 169.89 8.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -162.58 112.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.47 138.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.492 HG12 ' OE2' ' A' ' 33' ' ' GLU . 4.7 p -111.69 -30.7 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -99.11 -167.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -103.39 34.64 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -172.77 47.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -122.62 174.13 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.88 134.25 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -113.37 109.32 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 8.9 p90 -149.63 170.75 17.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -121.82 177.87 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -68.86 145.6 53.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.541 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.03 -44.65 2.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.32 142.63 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.855 HD11 ' HD3' ' A' ' 21' ' ' ARG . 45.5 mm -93.18 146.04 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.64 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.0 mt -135.8 128.84 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.664 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.7 mp -90.08 107.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -73.31 126.4 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -100.15 -43.29 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.18 133.85 46.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 33.3 p-10 -133.54 47.4 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -52.9 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -98.87 122.22 41.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -28.63 67.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.523 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -60.7 -50.62 72.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.2 m95 -125.89 127.22 45.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -111.04 138.37 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -102.03 107.63 18.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.32 178.93 17.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -133.32 147.76 51.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD22 ' A' ' 34' ' ' LEU . 34.4 p30 -144.07 169.67 17.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -37.54 -55.39 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.611 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.2 mtt-85 -50.24 -54.93 17.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.56 -155.18 26.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.81 164.27 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 166.56 169.77 30.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -88.87 153.35 21.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.0 p90 -173.0 163.78 3.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.54 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -74.99 141.83 27.16 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 51.7 p -82.61 -9.52 59.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -90.86 18.59 6.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -116.71 -8.19 11.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.96 176.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.625 ' HB ' HD11 ' A' ' 23' ' ' LEU . 6.0 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -88.33 148.38 24.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 42' ' ' ILE . 27.9 m -145.7 148.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.625 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.2 125.64 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 125.54 24.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD11 ' HB ' ' A' ' 70' ' ' THR . 88.5 mt -87.97 -40.07 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -120.45 163.83 17.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -85.59 112.06 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.615 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 23.9 t80 -99.72 177.05 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' ALA . 18.9 tt0 -171.23 100.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -39.08 136.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.45 -33.85 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -82.49 -172.75 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -99.78 33.58 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 9.7 p-10 -176.04 50.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.518 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -123.04 175.35 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.529 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -100.9 136.0 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -114.7 107.83 15.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.615 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.7 p90 -151.04 170.43 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -117.0 -176.03 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -71.04 150.43 45.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 84.59 -50.6 4.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLY . 1.6 mt-10 -38.75 142.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.625 HD11 ' HD3' ' A' ' 21' ' ' ARG . 43.1 mm -91.04 146.49 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.733 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -136.55 125.97 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.659 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.84 108.12 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -73.72 121.49 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -97.75 -45.35 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.56 133.93 47.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -133.96 39.68 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -52.52 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -98.86 140.12 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.4 -23.7 40.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.509 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -67.2 -53.1 33.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.509 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 44.7 m95 -116.55 144.95 43.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.5 OUTLIER -128.37 131.33 48.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 107.969 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -96.38 106.01 18.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.42 178.73 17.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' CG ' HG13 ' A' ' 61' ' ' ILE . 31.4 tt0 -132.21 151.96 51.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.529 HD21 HD22 ' A' ' 34' ' ' LEU . 36.0 p30 -151.93 169.83 21.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -38.05 -54.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.578 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -51.55 -45.97 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.15 -155.15 25.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.439 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.71 161.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 167.64 167.25 28.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -88.65 149.89 23.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 12.7 p90 -167.67 163.84 9.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.01 138.46 23.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -76.48 -9.06 58.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -91.74 22.2 4.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -122.27 3.16 9.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.3 m -133.1 179.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.479 ' HB ' HD11 ' A' ' 23' ' ' LEU . 3.7 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' C ' HG13 ' A' ' 20' ' ' VAL . 6.1 mttt -87.86 155.75 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 42' ' ' ILE . 21.1 m -152.02 145.02 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.596 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -102.93 123.32 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.76 127.72 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.559 HD21 ' HB ' ' A' ' 70' ' ' THR . 89.3 mt -86.83 -40.02 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 20.1 m-85 -123.14 171.45 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.8 119.55 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 54.5 t80 -110.16 176.08 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -170.1 105.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.54 133.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 p -104.45 -29.96 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -98.24 -170.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -100.9 33.33 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -166.67 51.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.582 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 1.2 mt-10 -132.53 170.74 14.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.573 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.71 131.75 44.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m -106.35 110.89 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.4 p90 -152.27 170.03 21.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -120.35 -177.78 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -68.79 146.91 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.587 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 87.34 -52.44 4.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.43 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.7 mt-10 -38.28 140.47 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.735 . . . . 0.0 110.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.596 HD11 ' HD3' ' A' ' 21' ' ' ARG . 45.9 mm -93.46 146.22 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.568 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -135.72 134.02 51.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.734 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.0 mp -94.14 107.87 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.93 121.29 27.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mt -91.21 -41.21 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.71 132.95 39.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.606 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 5.7 p-10 -132.39 51.85 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.77 -34.81 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -102.4 111.71 24.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.6 -27.9 68.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.537 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 2.2 m-80 -65.85 -48.94 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 51.8 m95 -129.69 127.58 40.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 107.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.606 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -109.91 133.99 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -95.55 114.61 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.51 179.16 19.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -137.38 147.21 45.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 110.304 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.573 HD21 HD22 ' A' ' 34' ' ' LEU . 40.2 p30 -144.79 169.81 17.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.441 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 11.5 p80 -38.33 -54.54 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.441 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -51.51 -44.63 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 150.66 -154.25 25.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.76 163.05 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 169.95 165.68 27.71 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.34 142.65 27.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.0 p90 -162.59 163.49 17.96 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -75.03 144.98 30.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.3 p -86.94 -4.14 59.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -92.62 15.74 13.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -113.53 -26.87 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 111.062 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.53 HG21 HG21 ' A' ' 20' ' ' VAL . 33.0 m -101.64 179.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.559 ' HB ' HD21 ' A' ' 23' ' ' LEU . 9.4 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.85 149.6 24.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 42' ' ' ILE . 20.4 m -141.24 150.56 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.634 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.53 123.55 47.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.24 122.93 18.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.631 HD11 ' HB ' ' A' ' 70' ' ' THR . 65.2 mt -84.96 -42.48 14.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -122.02 163.25 19.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -84.97 112.99 21.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.604 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.5 t80 -99.49 177.27 5.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.3 tt0 -169.95 101.21 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -39.17 132.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.25 -35.37 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -83.71 -172.75 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -100.83 35.59 2.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -175.17 50.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.456 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -125.66 174.04 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.469 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -99.09 137.29 37.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -112.75 109.91 19.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.604 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 8.7 p90 -154.05 171.18 19.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -119.19 -176.48 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.363 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.75 151.15 43.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 84.66 -55.76 5.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' GLY . 3.0 mt-10 -38.79 142.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 110.255 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.634 HD11 ' HD3' ' A' ' 21' ' ' ARG . 42.8 mm -92.63 148.74 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.848 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mp -136.05 124.04 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.542 HD12 ' N ' ' A' ' 43' ' ' ILE . 4.5 mp -84.43 110.14 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.5 t -76.75 121.87 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.31 -43.73 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.24 132.89 43.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -131.91 27.23 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 t -48.51 -50.68 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.433 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 3.6 m-20 -99.74 167.08 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.05 -41.56 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.441 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.4 m-80 -48.07 -58.9 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.441 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 47.3 m95 -115.26 146.37 41.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.4 OUTLIER -129.08 138.75 52.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -103.16 107.17 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.57 179.08 17.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 13.0 tt0 -133.64 147.95 51.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.469 HD21 HD22 ' A' ' 34' ' ' LEU . 34.4 p30 -148.24 170.18 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 5.3 p80 -37.6 -55.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.566 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -51.04 -46.17 61.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.2 -154.08 25.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 62' ' ' GLY . 3.0 mt -101.76 165.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.483 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.03 166.34 23.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -88.53 147.1 24.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.3 p90 -166.11 164.02 11.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.5 Cg_endo -74.94 137.42 21.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 37.2 p -80.57 -4.88 55.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -84.85 -14.75 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.5 m-85 -82.04 -28.1 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.3 m -101.43 178.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.631 ' HB ' HD11 ' A' ' 23' ' ' LEU . 3.6 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.68 152.33 22.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 42' ' ' ILE . 19.0 m -147.03 146.93 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.678 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -102.96 122.92 45.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 42' ' ' ILE . . . -61.19 128.79 38.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.586 HD21 ' HB ' ' A' ' 70' ' ' THR . 98.5 mt -87.2 -38.72 16.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -126.24 164.64 20.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -84.84 119.13 24.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 63.3 t80 -107.14 173.27 6.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 21.1 tt0 -162.43 107.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.29 130.76 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 p -104.63 -35.98 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -86.36 -172.76 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -101.23 36.91 1.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -177.81 54.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -128.17 176.35 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.495 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.74 133.47 43.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 m -111.95 111.52 22.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.6 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 13.3 p90 -150.86 170.21 19.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -114.25 -176.15 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.27 141.57 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.87 -32.55 4.79 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -54.73 151.18 8.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.678 HD11 ' HD3' ' A' ' 21' ' ' ARG . 45.7 mm -93.72 147.84 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.8 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.8 mp -140.77 125.44 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -90.43 108.78 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.3 t -76.18 125.12 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mt -97.26 -32.61 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.79 133.5 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.593 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.5 p30 -132.6 38.7 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.61 -47.39 81.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.476 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.6 m-20 -98.96 161.98 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.78 -27.26 12.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.521 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -65.42 -49.56 68.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.521 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 50.0 m95 -123.68 144.14 49.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.051 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -130.63 133.13 45.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.988 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -95.62 108.84 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.23 178.83 18.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 61' ' ' ILE . 23.8 tt0 -135.96 150.47 49.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.495 HD21 HD22 ' A' ' 34' ' ' LEU . 31.3 p30 -148.51 169.42 20.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . 51.6 p-80 -38.34 -53.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.4 mtt-85 -51.0 -53.53 32.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.59 -156.92 28.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.62 165.01 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.24 166.16 23.75 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.63 150.65 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.7 p90 -168.55 163.2 8.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -74.97 137.14 21.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -76.04 -6.11 49.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.56 17.72 7.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -120.15 -1.82 10.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 m -127.28 174.86 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.586 ' HB ' HD21 ' A' ' 23' ' ' LEU . 7.7 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -88.44 145.0 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.1 m -141.86 147.66 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.751 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.37 122.93 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.235 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.77 128.95 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD21 ' HB ' ' A' ' 70' ' ' THR . 96.5 mt -87.78 -42.08 12.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.462 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 42.6 m-85 -118.59 170.18 9.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -88.05 126.65 35.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 46.8 t80 -117.84 176.66 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -171.13 117.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' CB ' ' OG1' ' A' ' 35' ' ' THR . . . -40.51 126.84 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.609 HG12 ' OE1' ' A' ' 33' ' ' GLU . 8.2 p -103.9 -32.82 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.29 -170.52 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -100.52 40.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -178.37 51.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.609 ' OE1' HG12 ' A' ' 29' ' ' VAL . 1.2 mt-10 -129.91 172.61 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.535 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.36 129.89 45.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.406 ' OG1' ' CB ' ' A' ' 28' ' ' ALA . 1.8 m -105.47 114.93 29.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.6 p90 -157.87 171.75 19.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -123.77 176.52 6.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -63.18 148.16 48.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.88 -47.91 3.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.103 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.32 141.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.751 HD11 ' HD3' ' A' ' 21' ' ' ARG . 41.4 mm -91.49 144.46 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.653 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.7 mp -135.87 126.71 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -89.59 108.9 19.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.47 121.21 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mt -93.23 -44.6 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.28 133.02 42.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.425 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 7.6 p-10 -130.74 37.06 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.63 -49.95 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.2 m-20 -98.69 165.7 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.3 -28.82 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -64.83 -51.49 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.427 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 54.2 m95 -118.9 139.99 50.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.042 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -125.88 132.47 52.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -95.13 109.48 21.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.34 179.05 17.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -136.01 147.3 47.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.757 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.535 HD21 HD22 ' A' ' 34' ' ' LEU . 35.1 p30 -144.16 169.23 18.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.471 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -38.29 -52.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -51.56 -58.17 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.57 -157.49 29.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.48 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.92 153.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.429 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 177.36 166.74 34.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.58 151.58 22.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.3 p90 -169.39 162.77 7.34 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -74.98 136.91 21.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.528 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 30.4 p -76.96 -8.08 56.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -89.95 17.08 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -117.76 -1.7 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.962 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.451 HG21 HG21 ' A' ' 20' ' ' VAL . 35.0 m -127.83 176.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 21' ' ' ARG . 4.9 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -87.85 148.23 24.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.874 HG22 ' O ' ' A' ' 42' ' ' ILE . 15.1 m -145.3 150.44 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.691 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -110.86 122.79 48.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.246 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 125.94 25.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.514 HD11 ' HB ' ' A' ' 70' ' ' THR . 97.2 mt -86.49 -42.79 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 36.6 m-85 -118.44 171.08 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 3.0 p30 -89.2 121.15 31.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.4 t80 -112.85 175.89 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 2.9 mt-10 -170.45 114.3 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.53 134.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.414 HG12 ' OE2' ' A' ' 33' ' ' GLU . 7.5 p -108.31 -32.22 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -101.01 -171.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -100.65 46.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 t30 176.6 50.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -130.18 174.24 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.69 132.46 44.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -110.16 112.47 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.396 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.8 p90 -154.26 171.96 18.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -125.99 172.41 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.52 147.97 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.599 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 89.13 -56.87 4.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' OE2' ' NE2' ' A' ' 58' ' ' HIS . 1.7 mt-10 -38.81 141.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.691 HD11 ' HD3' ' A' ' 21' ' ' ARG . 46.1 mm -92.27 146.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.874 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.0 mt -135.97 130.51 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.5 mp -92.07 107.88 19.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.15 122.16 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.38 -42.43 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.81 135.17 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.582 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 32.7 p-10 -131.24 46.47 2.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -77.32 -53.95 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 52' ' ' TRP . 2.0 t70 -98.99 123.85 43.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.59 -28.54 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -60.23 -49.08 79.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.541 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 49.4 m95 -127.65 126.46 42.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.582 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -111.86 133.05 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 107.959 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -94.83 112.67 24.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.31 179.08 19.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 26.9 tt0 -135.27 150.69 50.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.511 HD21 HD22 ' A' ' 34' ' ' LEU . 32.8 p30 -146.56 169.5 18.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 57' ' ' ASN . 6.1 p80 -37.54 -54.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 37.8 mtt-85 -50.83 -54.02 27.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.13 -155.14 26.32 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.9 mp -101.79 165.24 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.48 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.93 167.94 27.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.84 147.61 24.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.0 p90 -166.3 163.54 11.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -75.0 139.44 24.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.0 p -79.24 -8.4 59.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.58 21.12 4.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -121.67 -3.49 9.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.04 175.02 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 23' ' ' LEU . 6.7 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 5.2 ttm180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -87.86 149.63 24.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 42' ' ' ILE . 17.9 m -147.99 146.23 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.861 ' HD3' HD11 ' A' ' 41' ' ' ILE . 3.4 ttp85 -103.52 123.46 46.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.83 125.92 25.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.03 -41.39 14.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -120.99 172.19 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.7 129.15 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 54.5 t80 -122.33 171.63 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.548 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 26.9 tt0 -162.91 117.09 1.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -47.15 122.71 4.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG12 ' OE1' ' A' ' 33' ' ' GLU . 14.5 p -92.28 -35.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -93.16 -172.88 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.9 24.51 6.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.23 56.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.476 ' OE1' HG12 ' A' ' 29' ' ' VAL . 1.3 mt-10 -132.58 174.38 10.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 57' ' ' ASN . 0.0 OUTLIER -102.12 130.37 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.564 HG22 ' CD ' ' A' ' 59' ' ' ARG . 1.0 OUTLIER -109.42 118.33 36.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.3 p90 -155.43 171.77 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -123.57 177.72 5.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -65.88 147.95 52.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.46 -47.52 3.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -45.58 142.98 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.861 HD11 ' HD3' ' A' ' 21' ' ' ARG . 47.6 mm -94.71 147.72 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.756 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.7 mp -136.45 126.53 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.41 107.89 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 47.2 t -72.94 125.41 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -97.74 -43.53 7.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.47 134.47 41.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 2.5 p-10 -129.48 28.09 5.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.5 -51.76 11.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.15 166.13 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.02 -28.69 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -53.54 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -113.91 137.01 52.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -124.39 132.46 53.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -97.07 106.27 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -131.89 176.5 19.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.469 1.105 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -130.27 147.18 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD22 ' A' ' 34' ' ' LEU . 37.7 p30 -146.87 169.59 18.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.1 t-80 -37.26 -55.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.612 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.564 ' CD ' HG22 ' A' ' 35' ' ' THR . 3.4 mtt-85 -50.4 -49.22 55.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 156.24 -154.37 25.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.48 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -102.19 162.09 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 167.85 171.45 33.82 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -92.51 152.98 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.6 p90 -172.31 163.37 4.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -74.95 137.35 21.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.554 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 25.2 p -77.78 -8.26 57.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.49 11.04 15.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -112.58 -4.36 14.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 20' ' ' VAL . 35.1 m -125.3 175.11 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 21' ' ' ARG . 4.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' C ' HG13 ' A' ' 20' ' ' VAL . 11.8 mttt -88.01 157.12 18.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 42' ' ' ILE . 17.8 m -153.54 146.29 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.808 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.57 122.97 46.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.5 127.93 34.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.648 HD21 ' HB ' ' A' ' 70' ' ' THR . 96.9 mt -88.32 -42.75 12.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.56 166.69 13.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -86.29 112.4 21.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.622 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.9 t80 -101.07 177.22 5.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' ALA . 14.3 tt0 -171.77 102.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.94 134.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -110.96 -33.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.58 -172.63 4.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -99.7 34.42 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -175.02 54.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.551 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -128.83 173.4 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.463 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.94 135.97 39.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.25 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.718 HG22 HH11 ' A' ' 59' ' ' ARG . 4.2 m -111.03 114.49 27.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.0 p90 -158.79 171.36 20.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -119.65 -176.18 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -75.05 145.64 42.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.596 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.33 -44.0 2.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -48.7 142.48 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.808 HD11 ' HD3' ' A' ' 21' ' ' ARG . 41.1 mm -90.53 146.65 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.678 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -136.81 131.47 47.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.727 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.2 mp -93.42 109.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.32 126.67 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.5 -37.92 9.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.12 135.9 36.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.591 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 3.8 p30 -134.39 47.73 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -79.59 -50.12 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.84 123.53 43.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.71 -25.71 62.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.551 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -64.62 -44.97 88.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.551 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.4 m95 -131.41 127.09 36.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 107.988 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -112.11 133.21 54.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 107.947 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -95.11 113.62 25.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.73 178.08 20.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.4 tm-20 -136.89 147.86 46.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.463 HD21 HD22 ' A' ' 34' ' ' LEU . 33.4 p30 -145.71 169.31 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' ASN . 4.2 p80 -38.98 -53.29 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.559 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.718 HH11 HG22 ' A' ' 35' ' ' THR . 20.4 mtt180 -51.61 -45.18 63.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.27 -156.81 26.87 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.7 mp -101.56 165.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.497 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 164.7 165.37 21.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -88.59 143.21 27.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 10.8 p90 -161.3 163.2 20.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.01 141.59 26.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.556 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -79.51 -3.81 48.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -93.79 19.05 9.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -120.56 -1.64 10.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.99 174.89 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.648 ' HB ' HD21 ' A' ' 23' ' ' LEU . 5.8 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -87.8 146.1 25.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 42' ' ' ILE . 16.0 m -143.31 147.63 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.782 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -105.11 125.14 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 126.99 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.1 mt -86.51 -42.03 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -121.23 170.24 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.87 115.26 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.616 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.3 t80 -103.64 175.49 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.52 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 44.6 tt0 -166.95 102.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -41.07 129.46 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.8 p -96.54 -33.25 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -90.69 -172.88 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.75 15.67 26.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -148.74 41.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.608 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 9.5 mt-10 -119.87 171.38 8.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD22 HD21 ' A' ' 57' ' ' ASN . 0.0 OUTLIER -98.92 129.16 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -111.72 120.74 43.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.616 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 11.7 p90 -155.98 169.08 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -178.59 3.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 131.17 35.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.25 -49.73 0.86 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -42.78 146.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.782 HD11 ' HD3' ' A' ' 21' ' ' ARG . 47.7 mm -91.48 146.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.837 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mt -136.04 127.99 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.628 HD12 ' N ' ' A' ' 43' ' ' ILE . 4.0 mp -89.56 107.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.5 t -72.97 125.68 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -99.39 -39.08 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.42 136.57 43.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.584 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 19.6 p-10 -135.05 45.63 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -51.73 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.74 123.92 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.66 -25.92 64.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.479 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -66.21 -52.22 50.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.1 m95 -121.16 128.44 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.584 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -113.58 137.46 51.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.06 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -99.76 108.06 20.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.9 179.25 17.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.7 tm-20 -133.4 148.9 51.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.526 HD21 HD22 ' A' ' 34' ' ' LEU . 28.9 p30 -144.86 169.51 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -38.36 -53.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.524 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 33.3 mtt-85 -51.56 -54.97 21.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.86 -156.44 28.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.64 165.39 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 166.13 178.98 39.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.555 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -98.26 150.57 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.5 p90 -170.34 163.81 5.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.571 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.93 143.55 29.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -82.21 -11.17 58.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.1 8.15 19.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -110.21 3.35 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.1 m -134.07 173.48 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 21' ' ' ARG . 2.4 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -88.11 147.57 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 69' ' ' VAL . 13.6 m -143.49 149.57 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.855 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.07 122.82 45.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.17 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.79 122.76 17.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.454 HD21 ' HB ' ' A' ' 70' ' ' THR . 18.5 mt -85.69 -40.96 15.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -122.09 165.91 15.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.04 111.85 21.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 41.4 t80 -97.17 172.21 7.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.39 116.67 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -43.17 134.22 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.631 HG13 ' HG3' ' A' ' 30' ' ' GLU . 7.1 p -107.16 -31.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.631 ' HG3' HG13 ' A' ' 29' ' ' VAL . 18.8 mt-10 -98.25 -168.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -101.63 36.0 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -175.94 48.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE2' HG12 ' A' ' 29' ' ' VAL . 14.5 mt-10 -121.0 176.41 5.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.496 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.46 135.76 39.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -116.32 109.13 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 7.7 p90 -149.68 170.63 18.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -113.05 -176.11 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -80.64 134.46 35.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.565 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.22 -50.44 0.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -47.58 140.56 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.325 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.855 HD11 ' HD3' ' A' ' 21' ' ' ARG . 48.6 mm -89.85 149.3 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.55 136.87 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.727 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.1 mp -93.24 107.68 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.86 126.62 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mt -101.38 -39.02 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.41 133.48 40.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.597 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -138.5 45.59 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.57 10.12 26.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.74 122.92 12.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.66 -16.92 59.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.524 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.1 m-80 -79.95 -48.05 14.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.524 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 54.0 m95 -126.5 143.48 51.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.597 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -127.88 132.72 49.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -96.3 115.15 26.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.81 178.97 20.22 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -134.39 147.05 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.496 HD21 HD22 ' A' ' 34' ' ' LEU . 35.0 p30 -145.44 169.32 18.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -38.52 -53.97 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.28 -51.26 46.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.076 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 159.07 -156.71 27.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.79 161.85 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 165.4 168.9 28.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.6 155.74 19.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 0.797 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.0 p90 -172.51 162.34 4.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.0 137.72 22.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.427 1.751 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 38.6 p -79.55 -13.58 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.95 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -81.25 3.1 25.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -101.4 -20.76 15.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 20' ' ' VAL . 28.7 m -110.29 -179.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 21' ' ' ARG . 3.3 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.451 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -117.21 -58.41 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 110.014 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -168.08 143.01 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.36 117.52 1.89 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -109.25 -56.36 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.974 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.82 80.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.34 -140.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 10.7 t -150.56 179.28 8.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 110.031 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER 166.97 -30.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -90.01 118.06 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -170.92 81.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.04 79.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 p30 179.92 101.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -83.21 122.46 28.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -154.34 135.6 14.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 m -85.9 117.01 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.96 161.29 38.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.68 104.22 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' CB ' HD11 ' A' ' 73' ' ' LEU . 13.0 mttm -87.79 153.42 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.1 m -150.91 145.25 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.784 ' HD3' HD11 ' A' ' 41' ' ' ILE . 2.6 ttp85 -103.1 122.89 45.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 129.12 39.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.622 HD11 ' HB ' ' A' ' 70' ' ' THR . 93.6 mt -90.64 -40.35 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -119.45 161.71 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.48 113.97 21.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.4 t80 -103.02 174.5 5.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 1.7 tt0 -164.49 116.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.96 137.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.63 HG12 ' OE2' ' A' ' 33' ' ' GLU . 5.0 p -111.79 -30.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.19 -169.7 1.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -100.59 30.32 4.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -170.38 51.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.63 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -125.34 175.4 7.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.97 131.3 45.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -111.65 113.3 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.3 p90 -153.6 169.06 24.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.59 -176.12 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -74.52 148.06 41.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.63 -46.4 3.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.44 141.98 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.784 HD11 ' HD3' ' A' ' 21' ' ' ARG . 49.1 mm -90.24 148.35 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.69 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -136.93 128.86 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.5 mp -92.6 107.8 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -74.28 121.89 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.85 -42.17 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.98 132.95 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -135.31 40.58 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -48.93 77.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.9 t0 -98.85 164.92 12.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.64 -25.55 13.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -66.02 -52.55 48.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.514 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 47.8 m95 -119.55 140.62 50.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.5 OUTLIER -125.05 131.12 53.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -94.57 108.74 20.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.99 179.17 17.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 25.0 tt0 -134.25 150.33 51.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.789 . . . . 0.0 110.355 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.569 HD21 HD22 ' A' ' 34' ' ' LEU . 29.6 p30 -150.02 169.63 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -39.02 -52.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -45.19 64.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 150.71 -155.68 26.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 3.1 mt -101.79 162.8 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.66 168.71 28.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.86 152.52 21.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.561 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.8 p90 -170.69 164.74 5.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.561 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.05 141.37 26.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 34.7 p -82.74 -10.32 58.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -89.46 15.44 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.526 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -112.65 -14.92 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.45 177.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.622 ' HB ' HD11 ' A' ' 23' ' ' LEU . 5.3 t -136.3 129.29 31.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.4 p -71.84 62.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 178.85 86.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.638 HD22 HD12 ' A' ' 41' ' ' ILE . 21.5 mt -42.97 -55.41 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.3 136.77 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.84 100.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -97.61 124.84 42.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.3 m -64.85 -56.91 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.03 132.9 43.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.28 76.82 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.92 104.63 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.1 -61.13 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.8 t -68.01 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.2 -58.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 176.91 -171.6 44.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.86 -58.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -165.05 156.81 15.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -137.7 154.39 49.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -163.56 136.64 5.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.63 170.46 29.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.35 104.16 6.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -151.57 100.48 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.89 -147.93 23.4 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.67 157.43 2.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 0.738 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.56 103.23 12.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.728 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.6 pp -118.58 122.95 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.59 76.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 69.6 100.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -128.02 161.11 29.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -130.15 102.5 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' CB ' ' HE2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -110.38 178.38 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 28.3 m -114.98 170.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . 67.41 178.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.87 108.95 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HE2' ' CB ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -87.86 151.64 22.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 42' ' ' ILE . 14.4 m -150.6 148.38 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.676 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.54 123.08 46.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 128.88 37.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 70' ' ' THR . 91.2 mt -88.52 -39.96 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -123.6 165.57 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -86.68 112.0 21.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 44.1 t80 -102.89 175.91 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -167.72 106.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.54 135.67 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.8 -34.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.02 -172.52 4.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.37 29.35 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -172.09 55.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -129.88 174.35 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.66 135.23 40.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -115.93 110.04 18.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 11.7 p90 -148.94 168.53 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.79 -177.54 3.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -80.56 127.73 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.16 -48.06 0.98 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -44.81 142.78 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.719 HD12 HD22 ' A' ' 73' ' ' LEU . 47.4 mm -85.14 148.2 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -137.25 125.31 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 43' ' ' ILE . 4.1 mp -89.61 107.94 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -74.21 125.34 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 mt -95.5 -41.91 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.63 133.6 36.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.578 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.1 p-10 -130.91 29.74 4.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -49.36 71.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.4 m-20 -99.03 165.3 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.96 -38.19 7.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.516 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -51.8 -54.45 28.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.516 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 46.7 m95 -119.94 147.81 44.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -132.82 133.21 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 107.982 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -94.34 114.03 26.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.62 175.98 22.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 29.7 tt0 -133.99 151.35 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD22 ' A' ' 34' ' ' LEU . 29.7 p30 -148.8 169.37 20.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -38.77 -52.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.605 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -51.41 -52.91 41.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.66 -157.36 28.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.66 165.16 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.472 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 163.65 167.7 24.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.72 150.21 23.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.786 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.2 p90 -168.02 164.36 8.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.5 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.99 137.07 21.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.525 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.5 p -75.78 -8.76 57.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -88.96 14.18 11.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.2 m-85 -116.81 4.46 12.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.8 m -133.16 175.17 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.669 ' HB ' HD21 ' A' ' 23' ' ' LEU . 7.4 t -136.34 134.44 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.6 p -69.47 61.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' THR . 2.2 t30 173.37 127.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.719 HD22 HD12 ' A' ' 41' ' ' ILE . 3.6 mt -88.59 55.49 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -178.13 135.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.7 mt 60.58 154.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -67.53 -52.24 41.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 t -177.45 144.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 79' ' ' ALA . 39.0 tt0 -157.0 159.08 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 78' ' ' GLU . . . -161.67 72.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.57 166.44 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.19 133.58 16.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.5 t -88.02 150.81 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.2 t -96.07 -57.44 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.93 154.83 6.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.86 42.49 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.457 1.767 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.7 p -128.34 162.55 26.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.2 m 60.25 162.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -152.54 100.36 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 110.003 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p 57.04 169.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.64 -174.13 35.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 -58.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -111.6 -58.45 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.2 99.16 0.94 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.5 t -92.33 161.65 14.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.72 128.59 23.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -57.86 146.74 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.23 60.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.62 -61.3 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -136.48 148.35 47.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -67.01 84.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -125.7 149.62 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.6 m -106.21 121.56 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.54 165.98 18.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -90.3 100.09 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' CB ' HD11 ' A' ' 73' ' ' LEU . 4.5 mttt -87.87 153.17 21.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 42' ' ' ILE . 19.0 m -148.97 146.78 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.783 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.28 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 129.16 39.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.666 HD11 ' HB ' ' A' ' 70' ' ' THR . 91.7 mt -92.52 -36.1 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -128.5 163.48 24.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -84.47 112.57 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 45.3 t80 -105.17 151.08 24.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.81 112.76 8.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -40.42 138.01 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.615 HG12 ' OE1' ' A' ' 33' ' ' GLU . 4.5 p -111.42 -31.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.75 -171.2 2.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.13 38.86 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 8.8 p-10 -177.99 46.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.615 ' OE1' HG12 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -119.62 172.22 7.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.507 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.27 135.38 39.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -117.4 108.52 15.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 6.4 p90 -146.56 168.32 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.97 -178.49 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -81.02 128.93 34.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.547 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.36 -47.85 1.0 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -44.01 146.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.912 HD12 HD22 ' A' ' 73' ' ' LEU . 43.2 mm -91.98 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.748 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.7 mp -136.44 127.73 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.239 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.658 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.14 109.27 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 49.9 t -73.12 121.82 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.07 -44.99 8.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -133.45 137.05 45.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -134.99 40.04 2.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.7 t -58.43 -51.47 69.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 5.9 t0 -98.98 164.23 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.08 -30.48 11.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.504 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -61.39 -53.0 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.504 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 46.3 m95 -116.94 145.14 43.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 1.0 OUTLIER -130.46 130.7 44.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -94.84 108.46 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.97 178.28 18.27 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -134.28 146.03 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 0.804 . . . . 0.0 110.258 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.507 HD21 HD22 ' A' ' 34' ' ' LEU . 35.7 p30 -146.04 169.96 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.593 ' CD2' ' H ' ' A' ' 59' ' ' ARG . 2.7 p80 -38.4 -54.71 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.622 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.593 ' H ' ' CD2' ' A' ' 58' ' ' HIS . 1.2 mtt180 -50.87 -45.17 59.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.12 -155.16 25.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.77 164.23 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.33 166.21 23.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.51 151.22 22.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 0.727 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -168.36 162.43 8.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.03 135.71 19.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.596 1.84 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.1 p -73.77 -6.29 46.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -89.54 8.1 32.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.2 m-85 -110.56 5.27 21.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.07 173.71 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.666 ' HB ' HD11 ' A' ' 23' ' ' LEU . 2.7 t -134.71 127.72 31.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 p -69.4 61.46 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' THR . 0.9 OUTLIER 177.65 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.912 HD22 HD12 ' A' ' 41' ' ' ILE . 38.0 mt -47.33 -53.39 13.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -113.59 102.53 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.48 104.58 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.91 147.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.7 p -127.47 89.69 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.64 136.42 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.07 84.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.75 151.47 37.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.24 173.4 6.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.1 t -103.21 142.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 m -132.91 147.14 52.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.56 157.31 25.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 171.39 18.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.18 -57.02 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.66 -58.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -173.4 157.21 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.962 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.72 154.41 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.14 165.19 38.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -176.69 145.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.16 168.99 10.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.99 165.98 36.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 p -178.67 -59.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 109.968 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 43.21 70.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 tt -66.58 146.8 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -167.48 158.25 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 pp -155.56 151.29 27.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -116.09 109.18 17.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.35 159.67 2.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.14 165.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.2 m -107.27 129.35 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.14 165.45 12.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 7.9 ttt180 -83.07 101.35 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HB3' HD21 ' A' ' 73' ' ' LEU . 1.5 mttm -88.42 149.55 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 42' ' ' ILE . 24.3 m -148.5 149.66 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.67 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.01 126.8 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.329 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.62 126.0 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 ' HB ' ' A' ' 70' ' ' THR . 97.0 mt -87.44 -40.58 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -120.59 166.04 14.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -89.57 114.35 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 79.5 t80 -105.91 174.04 6.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 11.5 tt0 -162.58 114.32 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.08 135.24 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.737 HG12 ' OE2' ' A' ' 33' ' ' GLU . 5.5 p -109.02 -32.96 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -91.51 -173.28 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -94.83 14.7 20.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -156.86 58.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.737 ' OE2' HG12 ' A' ' 29' ' ' VAL . 1.5 mt-10 -130.21 173.39 10.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.522 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.55 134.14 41.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -115.73 109.35 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 7.3 p90 -148.35 170.23 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -116.97 -175.98 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.4 148.27 41.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.592 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 -46.68 3.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.3 mt-10 -44.07 142.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 1.017 HD12 HD22 ' A' ' 73' ' ' LEU . 42.5 mm -89.84 146.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.736 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -136.63 126.02 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.96 107.94 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 46.1 t -72.83 123.97 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -97.31 -44.13 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.76 132.92 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -132.77 33.03 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.64 -51.96 63.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.443 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.7 m-20 -98.87 167.13 10.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.93 -33.44 8.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.7 m-80 -57.16 -57.06 14.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.477 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 45.5 m95 -115.11 143.25 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.028 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.8 OUTLIER -127.31 133.05 50.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.0 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -97.02 106.75 19.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.75 174.96 20.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' CG ' HG13 ' A' ' 61' ' ' ILE . 3.4 tm-20 -130.46 148.69 52.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.746 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.522 HD21 HD22 ' A' ' 34' ' ' LEU . 30.9 p30 -147.06 169.18 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.451 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 7.6 p80 -39.13 -52.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.649 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.411 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -51.13 -49.85 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.37 -157.62 28.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.64 163.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.452 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 163.95 168.68 26.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.46 157.08 18.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 12.9 p90 -174.32 163.77 2.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.6 Cg_endo -74.9 140.58 25.92 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.065 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.559 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -79.3 -8.3 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.84 19.57 5.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -120.98 3.13 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.18 177.88 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 21' ' ' ARG . 2.9 t -137.76 130.59 30.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 65.5 p -69.1 62.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.398 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.3 t30 171.95 108.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.017 HD22 HD12 ' A' ' 41' ' ' ILE . 24.6 mt -64.29 80.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 72' ' ' ASN . 3.8 t-20 178.52 155.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.5 mt -94.13 111.77 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.0 129.0 46.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 77' ' ' THR . 1.3 t -173.82 119.61 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.14 159.87 6.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.56 -61.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.37 159.16 30.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 55.26 90.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.78 128.45 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -62.06 138.78 58.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.71 164.23 25.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -50.27 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t 62.66 158.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.6 m -114.46 169.9 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 110.059 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.58 93.99 4.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t 63.75 97.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.32 -71.5 0.66 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -92.04 146.6 23.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.11 134.91 6.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.44 174.44 40.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 t -163.15 166.12 23.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 110.01 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.61 141.02 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 mp -59.61 126.48 17.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -143.82 -57.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 45.22 80.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -169.52 129.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.44 100.43 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.66 166.79 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 m -101.19 125.81 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.12 170.96 7.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER -94.86 99.48 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HB2' HD11 ' A' ' 73' ' ' LEU . 1.1 mttt -87.89 154.34 20.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 42' ' ' ILE . 24.6 m -149.83 148.34 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.807 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.16 122.95 45.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 124.02 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -82.53 -44.52 15.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 22.5 m-85 -121.26 165.82 14.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -85.29 118.24 24.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.614 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.2 t80 -104.37 175.66 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.518 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 38.9 tt0 -167.98 114.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -40.02 134.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.556 HG12 ' OE1' ' A' ' 33' ' ' GLU . 7.2 p -109.48 -31.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.01 -168.42 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.16 45.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 t30 175.69 56.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.556 ' OE1' HG12 ' A' ' 29' ' ' VAL . 1.2 mt-10 -133.45 175.78 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.78 133.25 43.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -110.36 109.05 19.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.5 p90 -150.73 172.56 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -119.32 -175.91 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -74.81 149.65 39.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.595 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 86.7 -54.88 4.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.1 mt-10 -38.91 142.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 1.015 HD12 HD22 ' A' ' 73' ' ' LEU . 44.2 mm -91.55 147.17 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.0 mt -135.97 128.34 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.633 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -88.88 108.37 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' ARG . 44.1 t -73.0 126.05 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.38 -43.02 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.12 133.02 38.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.6 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 12.9 p-10 -129.75 46.54 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.41 -52.21 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -98.79 122.79 42.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.17 -29.65 66.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.542 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -59.32 -47.3 85.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.3 m95 -130.25 126.39 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 108.012 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.6 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -111.41 133.03 54.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 107.957 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -96.12 110.32 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.09 177.65 19.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -134.71 147.2 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.518 HD21 HD22 ' A' ' 34' ' ' LEU . 31.6 p30 -144.49 169.24 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.452 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 8.7 p80 -38.39 -53.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -51.08 53.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.76 -156.53 27.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.55 164.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 166.62 169.45 30.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -91.41 149.63 21.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.2 p90 -168.73 163.42 8.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -75.07 142.7 27.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.535 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.4 p -84.85 -3.18 58.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.47 12.11 21.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -109.61 -25.35 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 m -103.58 -179.51 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 21' ' ' ARG . 5.6 t -139.43 131.57 28.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.443 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.7 p -70.33 59.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' THR . 17.3 t30 178.12 99.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.015 HD22 HD12 ' A' ' 41' ' ' ILE . 48.4 mt -56.86 -54.13 49.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -157.2 150.0 23.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.7 mt -81.58 107.92 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.08 169.22 18.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.2 p -89.34 -57.64 2.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -172.05 -39.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 178.65 72.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.6 70.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -167.15 173.33 9.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.5 t -73.61 114.91 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.18 166.98 27.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.035 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.35 177.72 21.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.56 13.4 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.2 t 53.07 100.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.3 m -54.06 -58.5 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 m -139.73 166.87 23.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 0.716 . . . . 0.0 110.056 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -130.27 161.34 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.11 -179.3 18.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -169.36 164.88 10.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 p -147.0 169.61 18.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.72 117.82 0.61 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -157.57 119.28 3.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -156.93 149.04 22.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.5 pt -115.32 175.51 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.23 164.77 34.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.76 98.34 2.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -91.18 131.22 36.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -82.77 -55.45 4.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.87 170.73 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.13 127.61 54.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.28 153.99 28.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.91 96.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.462 ' CB ' HD11 ' A' ' 73' ' ' LEU . 6.7 mttt -87.88 151.82 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 42' ' ' ILE . 30.2 m -146.04 149.59 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -105.47 125.16 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HA ' HG12 ' A' ' 69' ' ' VAL . . . -62.9 123.89 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.518 HD21 ' HB ' ' A' ' 70' ' ' THR . 83.7 mt -84.82 -42.23 15.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -120.84 166.57 13.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -87.0 111.83 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.598 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 21.5 t80 -99.5 177.34 5.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.9 tm-20 -172.84 100.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.83 136.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 p -107.4 -30.3 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -99.32 -176.54 3.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.231 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -97.61 48.18 1.02 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -179.63 45.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -130.64 173.89 10.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.501 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.65 136.28 38.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -114.09 108.55 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.4 p90 -152.07 170.81 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -115.85 -176.14 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.86 149.49 41.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.554 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.01 -45.84 3.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.96 145.6 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.702 HD12 HD22 ' A' ' 73' ' ' LEU . 44.0 mm -92.88 145.81 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.817 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.5 mp -136.31 127.07 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.682 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.6 mp -92.52 108.94 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.02 121.03 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.16 -45.35 7.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.78 148.25 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' SER . 3.6 p-10 -136.83 28.09 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -39.1 -46.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.78 162.26 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.53 -23.61 15.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.68 -53.3 6.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -101.74 129.67 47.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.022 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 1.6 m0 -118.24 130.68 56.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 108.031 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -95.1 107.83 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.43 178.48 18.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.564 ' OE1' HD11 ' A' ' 61' ' ' ILE . 18.6 tt0 -134.74 148.52 50.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.278 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.501 HD21 HD22 ' A' ' 34' ' ' LEU . 31.5 p30 -147.81 169.35 19.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.423 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 6.3 p80 -38.42 -52.93 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 1.5 mtt180 -52.29 -47.45 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 153.78 -156.43 26.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.564 HD11 ' OE1' ' A' ' 56' ' ' GLU . 2.8 mp -101.69 164.97 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.471 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 164.26 165.36 21.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.52 146.91 24.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 13.8 p90 -163.8 163.77 15.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.07 138.18 22.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 19.8 p -76.45 -7.14 54.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.77 14.01 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -115.34 -1.35 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 22' ' ' ALA . 34.2 m -130.59 178.95 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.518 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.3 t -140.96 130.54 24.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.9 p -72.19 58.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -177.2 88.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.702 HD22 HD12 ' A' ' 41' ' ' ILE . 23.9 mt -46.49 -55.36 7.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 169.19 104.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.9 mt -125.76 98.86 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 49.54 80.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.1 t -77.58 130.68 37.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.404 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -44.9 115.43 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -175.26 74.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.39 78.84 9.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -164.73 83.86 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.1 t -107.57 98.29 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.54 169.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -121.0 -81.89 0.66 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.53 2.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.7 m -88.24 115.52 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.1 t -177.49 163.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 p -159.53 -60.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.993 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t 63.11 163.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.954 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.47 -151.87 18.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m 59.24 110.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.92 172.46 12.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.68 143.02 11.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.9 p -179.96 143.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.017 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.31 110.83 21.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.511 ' C ' HD12 ' A' ' 10' ' ' ILE . 1.2 pp -102.13 -13.46 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -90.2 135.81 33.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.65 157.68 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -109.44 142.32 40.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -89.02 -57.76 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.76 162.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 m -102.68 127.67 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.52 161.13 35.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -80.33 100.58 8.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.655 ' HB2' HD11 ' A' ' 73' ' ' LEU . 2.0 mtpt -87.82 156.4 19.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.9 m -151.25 147.16 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.821 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -102.98 124.03 47.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 124.84 21.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.609 HD11 ' HB ' ' A' ' 70' ' ' THR . 79.9 mt -88.14 -40.5 13.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -118.15 163.16 17.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.52 116.57 23.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.61 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 42.3 t80 -105.79 176.55 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' ALA . 4.0 tt0 -171.12 99.42 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB1' ' CB ' ' A' ' 33' ' ' GLU . . . -39.12 134.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -107.91 -34.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.66 -172.52 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -101.22 24.75 9.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -163.57 50.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -126.36 174.64 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.527 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.8 135.28 40.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -113.08 108.92 17.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.0 p90 -151.36 170.35 19.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -121.03 -179.01 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.96 149.76 47.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.12 -49.41 3.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -45.27 143.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.929 HD12 HD22 ' A' ' 73' ' ' LEU . 46.9 mm -93.43 147.94 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.694 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -136.41 127.94 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.7 mp -90.56 107.86 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' ARG . 57.4 t -74.49 124.49 32.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.06 -42.35 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.83 132.88 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.549 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -132.25 41.83 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -51.64 22.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -98.98 123.3 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.84 -27.12 64.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.517 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.8 OUTLIER -63.29 -50.53 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.517 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 51.3 m95 -124.28 127.39 47.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -111.07 133.38 53.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 107.989 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -96.97 107.75 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.26 178.56 18.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 21.8 tt0 -133.96 149.55 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.527 HD21 HD22 ' A' ' 34' ' ' LEU . 33.9 p30 -147.9 169.47 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -38.74 -53.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -50.86 -48.19 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.7 -156.32 26.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.66 163.48 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.77 168.35 27.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.66 151.46 22.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.7 p90 -170.54 164.96 5.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -74.96 141.37 26.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.573 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 51.8 p -83.16 -10.31 58.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.87 16.31 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -113.13 -13.9 12.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 20' ' ' VAL . 32.3 m -114.58 -179.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.609 ' HB ' HD11 ' A' ' 23' ' ' LEU . 9.2 t -138.13 135.45 35.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.0 p -74.36 57.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -177.08 96.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.929 HD22 HD12 ' A' ' 41' ' ' ILE . 49.3 mt -55.59 -45.54 77.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -155.51 138.47 15.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.7 mt -59.35 104.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -116.16 104.34 11.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.8 m -110.17 108.86 19.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -65.68 154.87 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.93 95.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.11 136.39 53.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.7 127.99 53.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 p -130.29 136.36 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.46 171.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.69 -176.09 9.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.75 12.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.8 t -156.06 105.6 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.6 p -52.59 134.39 35.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.6 -58.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.29 168.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.959 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.37 63.57 0.58 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.24 123.82 47.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -50.62 161.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.41 100.3 2.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.6 p -146.64 -58.44 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.25 109.64 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.6 mt -117.28 -69.08 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 62.86 101.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tp -98.98 134.58 41.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -135.39 134.59 39.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -75.92 -45.17 36.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -65.38 159.7 23.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.0 m -110.44 121.38 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.64 162.4 30.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.66 101.44 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' CB ' HD11 ' A' ' 73' ' ' LEU . 11.2 mttm -87.99 150.28 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.8 m -150.5 145.08 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.78 ' HD3' HD11 ' A' ' 41' ' ' ILE . 1.2 ttp180 -103.06 123.89 47.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 127.65 33.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.653 HD21 ' HB ' ' A' ' 70' ' ' THR . 96.9 mt -86.64 -42.67 13.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -119.59 168.9 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -88.83 115.27 26.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 74.6 t80 -106.43 173.03 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 40.1 tt0 -162.23 121.18 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.07 134.07 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG12 ' OE2' ' A' ' 33' ' ' GLU . 7.5 p -109.27 -33.02 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -100.58 -168.14 1.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -105.13 45.9 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 t30 176.36 46.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -124.73 175.34 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.509 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.85 132.9 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -112.28 109.81 19.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 7.1 p90 -148.99 172.14 15.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -121.94 -179.65 4.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -71.51 145.18 49.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.34 -41.43 3.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.551 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 2.0 mt-10 -50.89 142.93 10.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.763 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.78 HD11 ' HD3' ' A' ' 21' ' ' ARG . 41.5 mm -91.76 144.86 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -136.47 129.63 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.2 mp -94.08 109.67 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -73.22 121.88 24.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.35 -30.49 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.45 134.6 19.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.593 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 3.6 p-10 -131.33 50.04 2.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -80.79 -51.32 8.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.95 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -98.87 124.5 43.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.1 -21.89 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.542 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -69.6 -40.24 76.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 57.6 m95 -135.31 126.97 29.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -113.14 133.04 55.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.015 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.03 110.13 22.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.99 178.18 18.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' CG ' HG13 ' A' ' 61' ' ' ILE . 1.7 tm-20 -134.24 146.51 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.509 HD21 HD22 ' A' ' 34' ' ' LEU . 31.6 p30 -143.39 169.44 17.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.551 ' HE2' ' CD ' ' A' ' 40' ' ' GLU . 8.4 p80 -37.93 -54.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -50.53 -54.56 21.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.27 -156.28 27.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.475 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.64 165.13 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.749 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.475 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 164.83 167.88 26.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -89.39 150.94 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.36 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.2 p90 -168.94 162.96 7.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.06 141.05 26.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -78.25 -6.89 56.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -90.97 19.18 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -122.93 8.01 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.45 176.57 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.653 ' HB ' HD21 ' A' ' 23' ' ' LEU . 7.2 t -139.13 131.62 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -73.29 58.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -176.31 87.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.778 HD22 HD12 ' A' ' 41' ' ' ILE . 20.1 mt -46.51 -54.7 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.49 141.45 30.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.69 105.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 62.07 88.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.3 t -118.97 132.62 56.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.437 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.29 102.4 8.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.0 -61.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.98 143.45 39.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.96 144.15 51.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 82' ' ' VAL . 21.9 m -107.67 108.64 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.6 p -149.87 124.26 9.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 173.89 137.72 2.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 170.99 19.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.8 m -136.12 165.02 26.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 109.993 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.4 p -178.09 169.01 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.1 p -155.59 -58.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.72 169.97 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.052 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.5 -161.03 8.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 m -152.26 163.57 39.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -114.3 167.52 10.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.2 -155.37 7.95 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -135.12 169.36 17.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -115.22 90.03 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.51 147.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -78.43 145.15 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.507 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -103.15 104.45 14.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 12' ' ' LEU . 1.1 m-80 -159.29 148.97 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -127.9 122.46 32.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -148.9 166.06 29.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.0 m -103.29 126.58 57.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.68 156.59 32.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 96.23 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.742 ' HB2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -87.92 153.22 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 42' ' ' ILE . 24.8 m -147.14 152.16 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.741 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.85 123.14 47.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 122.94 15.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD21 ' HB ' ' A' ' 70' ' ' THR . 97.7 mt -84.21 -41.07 17.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -121.62 167.77 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.82 114.87 25.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.8 t80 -104.09 176.96 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 28' ' ' ALA . 19.4 tt0 -171.49 99.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.473 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.94 133.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 p -108.72 -34.77 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -83.87 -172.73 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -103.41 46.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 t30 174.66 47.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 1.2 mt-10 -126.32 175.24 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.49 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.86 135.6 40.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -113.21 109.06 18.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.626 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 12.5 p90 -150.51 167.59 26.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -175.94 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -78.03 130.48 36.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 107.08 -56.32 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.423 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 5.5 mt-10 -38.22 140.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.773 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.951 HD12 HD22 ' A' ' 73' ' ' LEU . 45.8 mm -86.26 148.03 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.746 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mt -135.97 126.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -88.95 108.89 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.5 t -73.85 128.39 36.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.95 -42.17 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.5 132.96 39.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 37.4 p-10 -131.46 31.41 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -51.12 68.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.3 m-20 -98.98 166.1 11.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.15 -35.01 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.497 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -54.88 -53.97 48.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 48.7 m95 -119.5 146.47 45.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.5 OUTLIER -131.82 131.33 42.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 108.033 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -94.78 110.45 22.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.1 178.3 18.66 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.6 tm-20 -134.21 147.45 50.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.49 HD21 HD22 ' A' ' 34' ' ' LEU . 36.8 p30 -147.9 170.21 18.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 6.2 p80 -37.44 -55.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.634 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.49 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -50.63 -46.29 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.98 -154.34 25.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.68 164.28 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 166.19 166.57 25.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.53 149.53 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 10.1 p90 -168.09 164.51 8.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.06 136.08 19.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.3 p -74.22 -10.76 59.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.78 10.78 14.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -114.28 7.73 16.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.76 173.49 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 21' ' ' ARG . 4.9 t -136.06 137.04 40.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.451 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.3 p -68.23 64.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.629 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.4 t-20 179.57 166.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.951 HD22 HD12 ' A' ' 41' ' ' ILE . 9.8 mt -131.14 -147.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.53 106.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 75' ' ' ILE . 4.6 mt -81.87 70.31 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.33 -49.05 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.7 p -55.08 139.19 42.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -130.15 168.56 16.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -175.65 108.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.51 121.91 28.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -61.82 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.37 108.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -59.14 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.69 153.12 25.03 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.493 1.121 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 121.94 6.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.429 1.752 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 t -61.9 167.99 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.7 p -93.76 -61.15 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t -173.48 80.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.38 79.1 8.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.57 173.94 19.84 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.465 1.103 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -162.6 136.42 6.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -79.02 167.32 21.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.68 138.36 3.54 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.1 p -75.15 164.89 26.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.723 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 60.91 122.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.406 ' H ' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -116.85 165.94 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -84.32 151.48 24.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 134.63 34.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -53.08 142.74 19.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -64.01 93.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 148.15 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.6 m -112.11 125.82 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.78 174.49 8.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -95.29 99.7 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.479 ' CB ' HD11 ' A' ' 73' ' ' LEU . 3.9 mttt -87.82 150.58 23.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 42' ' ' ILE . 25.5 m -150.44 147.41 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.855 ' HD3' HD11 ' A' ' 41' ' ' ILE . 1.4 ttp85 -102.87 125.23 49.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.68 126.8 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.625 HD11 ' HB ' ' A' ' 70' ' ' THR . 91.9 mt -88.86 -41.41 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -117.87 162.91 17.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.29 113.82 21.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 35.0 t80 -102.62 169.89 8.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -162.58 112.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.47 138.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.492 HG12 ' OE2' ' A' ' 33' ' ' GLU . 4.7 p -111.69 -30.7 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -99.11 -167.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -103.39 34.64 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -172.77 47.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -122.62 174.13 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.88 134.25 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -113.37 109.32 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 8.9 p90 -149.63 170.75 17.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -121.82 177.87 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -68.86 145.6 53.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.541 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.03 -44.65 2.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.32 142.63 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 1.023 HD12 HD22 ' A' ' 73' ' ' LEU . 45.5 mm -93.18 146.04 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.64 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.0 mt -135.8 128.84 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.664 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.7 mp -90.08 107.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -73.31 126.4 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -100.15 -43.29 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.18 133.85 46.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 33.3 p-10 -133.54 47.4 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -52.9 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -98.87 122.22 41.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -28.63 67.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.523 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -60.7 -50.62 72.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.2 m95 -125.89 127.22 45.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -111.04 138.37 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -102.03 107.63 18.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.32 178.93 17.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -133.32 147.76 51.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD22 ' A' ' 34' ' ' LEU . 34.4 p30 -144.07 169.67 17.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -37.54 -55.39 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.611 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.2 mtt-85 -50.24 -54.93 17.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.56 -155.18 26.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.81 164.27 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 166.56 169.77 30.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -88.87 153.35 21.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.0 p90 -173.0 163.78 3.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.54 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -74.99 141.83 27.16 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 51.7 p -82.61 -9.52 59.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -90.86 18.59 6.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -116.71 -8.19 11.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.96 176.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.625 ' HB ' HD11 ' A' ' 23' ' ' LEU . 6.0 t -137.13 129.47 29.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.409 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.7 p -71.09 60.74 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.409 ' OD1' HD12 ' A' ' 75' ' ' ILE . 3.0 t30 -178.6 91.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.023 HD22 HD12 ' A' ' 41' ' ' ILE . 33.3 mt -49.65 -54.98 15.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.8 t30 170.75 119.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.409 HD12 ' OD1' ' A' ' 72' ' ' ASN . 75.1 mt -127.18 110.3 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.57 -58.97 2.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.1 t -163.69 131.67 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.406 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 60.22 148.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.05 76.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.98 104.69 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 62.92 143.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.5 m -84.45 -36.91 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.2 t 60.88 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.84 -166.99 22.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 70.61 5.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.83 83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 m -79.49 -56.19 4.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.55 124.59 36.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.56 83.9 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.44 112.43 1.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.57 144.72 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.054 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -150.75 93.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.57 95.18 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.03 -58.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.08 111.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -134.12 85.56 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -177.29 162.16 1.9 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tp -164.59 105.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -172.37 135.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -106.3 104.31 13.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -142.1 174.62 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 m -106.36 130.26 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.89 166.87 32.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 99.71 12.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' CB ' HD11 ' A' ' 73' ' ' LEU . 3.4 mttt -88.33 148.38 24.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 42' ' ' ILE . 27.9 m -145.7 148.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.625 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.2 125.64 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 125.54 24.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD11 ' HB ' ' A' ' 70' ' ' THR . 88.5 mt -87.97 -40.07 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -120.45 163.83 17.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -85.59 112.06 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.615 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 23.9 t80 -99.72 177.05 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' ALA . 18.9 tt0 -171.23 100.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -39.08 136.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.45 -33.85 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -82.49 -172.75 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -99.78 33.58 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 9.7 p-10 -176.04 50.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.518 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -123.04 175.35 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.529 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -100.9 136.0 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -114.7 107.83 15.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.615 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.7 p90 -151.04 170.43 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -117.0 -176.03 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -71.04 150.43 45.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 84.59 -50.6 4.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLY . 1.6 mt-10 -38.75 142.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 1.058 HD12 HD22 ' A' ' 73' ' ' LEU . 43.1 mm -91.04 146.49 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.733 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -136.55 125.97 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.659 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.84 108.12 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -73.72 121.49 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -97.75 -45.35 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.56 133.93 47.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -133.96 39.68 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -52.52 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -98.86 140.12 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.4 -23.7 40.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.509 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -67.2 -53.1 33.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.509 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 44.7 m95 -116.55 144.95 43.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.5 OUTLIER -128.37 131.33 48.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 107.969 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -96.38 106.01 18.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.42 178.73 17.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' CG ' HG13 ' A' ' 61' ' ' ILE . 31.4 tt0 -132.21 151.96 51.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.529 HD21 HD22 ' A' ' 34' ' ' LEU . 36.0 p30 -151.93 169.83 21.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -38.05 -54.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.578 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -51.55 -45.97 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.15 -155.15 25.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.439 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.71 161.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 167.64 167.25 28.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -88.65 149.89 23.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 12.7 p90 -167.67 163.84 9.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.01 138.46 23.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -76.48 -9.06 58.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -91.74 22.2 4.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -122.27 3.16 9.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.3 m -133.1 179.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.479 ' HB ' HD11 ' A' ' 23' ' ' LEU . 3.7 t -137.9 131.08 30.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 82.0 p -69.04 61.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' ASN . 5.1 t-20 172.74 108.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.058 HD22 HD12 ' A' ' 41' ' ' ILE . 29.5 mt -63.86 79.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' ASN . 42.4 p-10 177.44 159.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mt -89.56 108.64 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -44.02 134.31 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.38 131.45 29.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.64 144.1 56.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -171.44 93.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.24 140.37 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.45 107.39 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.87 -61.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.4 m -105.69 100.58 10.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 179.01 -169.41 40.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 70.88 5.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.88 172.88 12.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.11 161.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m 61.79 149.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 110.025 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.13 -58.53 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.22 137.87 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.8 p -124.47 -58.69 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.08 93.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.97 94.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.157 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.6 t -145.77 110.76 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.039 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.77 87.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mt -106.64 142.58 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.9 86.11 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.5 141.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 178.16 145.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -159.64 -56.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -71.63 165.29 24.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.9 m -105.26 129.06 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.82 162.19 41.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -87.15 102.25 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.725 ' HB2' HD11 ' A' ' 73' ' ' LEU . 6.1 mttt -87.86 155.75 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 42' ' ' ILE . 21.1 m -152.02 145.02 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.596 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -102.93 123.32 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.76 127.72 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.559 HD21 ' HB ' ' A' ' 70' ' ' THR . 89.3 mt -86.83 -40.02 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 20.1 m-85 -123.14 171.45 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.8 119.55 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 54.5 t80 -110.16 176.08 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -170.1 105.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.54 133.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 p -104.45 -29.96 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -98.24 -170.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -100.9 33.33 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -166.67 51.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.582 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 1.2 mt-10 -132.53 170.74 14.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.573 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.71 131.75 44.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m -106.35 110.89 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.4 p90 -152.27 170.03 21.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -120.35 -177.78 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -68.79 146.91 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.587 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 87.34 -52.44 4.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.43 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.7 mt-10 -38.28 140.47 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.735 . . . . 0.0 110.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.745 HD12 HD22 ' A' ' 73' ' ' LEU . 45.9 mm -93.46 146.22 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.568 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -135.72 134.02 51.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.734 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.0 mp -94.14 107.87 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.93 121.29 27.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mt -91.21 -41.21 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.71 132.95 39.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.606 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 5.7 p-10 -132.39 51.85 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.77 -34.81 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -102.4 111.71 24.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.6 -27.9 68.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.537 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 2.2 m-80 -65.85 -48.94 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 51.8 m95 -129.69 127.58 40.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 107.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.606 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -109.91 133.99 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -95.55 114.61 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.51 179.16 19.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -137.38 147.21 45.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 110.304 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.573 HD21 HD22 ' A' ' 34' ' ' LEU . 40.2 p30 -144.79 169.81 17.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.441 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 11.5 p80 -38.33 -54.54 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.441 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -51.51 -44.63 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 150.66 -154.25 25.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.76 163.05 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 169.95 165.68 27.71 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.34 142.65 27.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.0 p90 -162.59 163.49 17.96 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -75.03 144.98 30.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.3 p -86.94 -4.14 59.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -92.62 15.74 13.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -113.53 -26.87 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 111.062 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.53 HG21 HG21 ' A' ' 20' ' ' VAL . 33.0 m -101.64 179.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.559 ' HB ' HD21 ' A' ' 23' ' ' LEU . 9.4 t -138.14 146.04 42.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.2 p -82.4 50.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -169.45 104.99 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.357 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.745 HD22 HD12 ' A' ' 41' ' ' ILE . 19.8 mt -68.62 -56.58 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -163.66 167.79 20.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.3 mm -81.77 88.19 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.46 -55.05 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 m 59.18 113.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 63.23 125.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -169.49 75.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.84 155.8 22.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -176.46 104.98 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.71 144.31 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.37 168.73 21.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -46.11 103.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.43 39.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.49 1.784 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 m -132.16 145.36 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.8 m 57.71 160.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -174.93 86.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 110.003 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t 70.54 147.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.4 123.03 0.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -166.13 124.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 p -143.4 161.07 39.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.72 137.66 8.96 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 t -173.02 118.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -177.4 126.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.336 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.96 90.07 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -129.89 124.81 34.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.79 -65.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -138.82 151.29 46.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.7 124.1 48.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -142.06 -179.3 6.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.92 122.41 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.8 168.82 11.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -88.56 95.73 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.905 ' HB2' HD11 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -87.85 149.6 24.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 42' ' ' ILE . 20.4 m -141.24 150.56 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.634 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.53 123.55 47.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.24 122.93 18.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.631 HD11 ' HB ' ' A' ' 70' ' ' THR . 65.2 mt -84.96 -42.48 14.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -122.02 163.25 19.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -84.97 112.99 21.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.604 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.5 t80 -99.49 177.27 5.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.3 tt0 -169.95 101.21 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -39.17 132.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.25 -35.37 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -83.71 -172.75 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -100.83 35.59 2.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -175.17 50.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -125.66 174.04 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.469 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -99.09 137.29 37.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -112.75 109.91 19.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.604 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 8.7 p90 -154.05 171.18 19.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -119.19 -176.48 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.363 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.75 151.15 43.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 84.66 -55.76 5.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' GLY . 3.0 mt-10 -38.79 142.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 110.255 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.901 HD12 HD22 ' A' ' 73' ' ' LEU . 42.8 mm -92.63 148.74 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.848 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mp -136.05 124.04 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.542 HD12 ' N ' ' A' ' 43' ' ' ILE . 4.5 mp -84.43 110.14 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.5 t -76.75 121.87 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.31 -43.73 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.24 132.89 43.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -131.91 27.23 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 t -48.51 -50.68 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.433 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 3.6 m-20 -99.74 167.08 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.05 -41.56 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.441 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.4 m-80 -48.07 -58.9 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.441 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 47.3 m95 -115.26 146.37 41.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.4 OUTLIER -129.08 138.75 52.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -103.16 107.17 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.57 179.08 17.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 13.0 tt0 -133.64 147.95 51.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.469 HD21 HD22 ' A' ' 34' ' ' LEU . 34.4 p30 -148.24 170.18 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 5.3 p80 -37.6 -55.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.566 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -51.04 -46.17 61.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.2 -154.08 25.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 62' ' ' GLY . 3.0 mt -101.76 165.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.483 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.03 166.34 23.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -88.53 147.1 24.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.3 p90 -166.11 164.02 11.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.5 Cg_endo -74.94 137.42 21.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 37.2 p -80.57 -4.88 55.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -84.85 -14.75 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.5 m-85 -82.04 -28.1 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.3 m -101.43 178.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.631 ' HB ' HD11 ' A' ' 23' ' ' LEU . 3.6 t -140.09 128.23 22.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.7 p -69.11 62.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 70' ' ' THR . 1.7 t-20 177.18 92.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.905 HD11 ' HB2' ' A' ' 19' ' ' LYS . 56.4 mt -52.27 -49.35 64.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -166.9 152.25 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.1 mt -77.9 106.82 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.25 162.31 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.413 ' H ' HG23 ' A' ' 77' ' ' THR . 25.4 p -64.9 140.3 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -131.43 172.72 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -163.98 96.05 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.37 167.28 10.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.03 133.75 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.2 m -87.55 154.82 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.73 139.19 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.22 -161.76 2.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.09 28.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.539 1.81 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.01 164.3 12.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 t -80.41 164.74 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 p -154.19 124.97 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 110.019 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.8 152.78 19.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.54 163.93 10.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -148.84 -174.2 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.13 -60.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.16 -178.68 53.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 m -117.59 107.7 14.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.57 137.12 20.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 10' ' ' ILE . 5.4 mt 65.77 77.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.94 81.13 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -156.1 71.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.6 111.96 2.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -101.28 100.87 11.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.42 152.73 3.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.0 m -97.92 125.76 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.37 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.63 158.5 43.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -82.59 100.12 9.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.783 ' HB2' HD11 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -87.68 152.33 22.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 42' ' ' ILE . 19.0 m -147.03 146.93 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.678 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -102.96 122.92 45.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 42' ' ' ILE . . . -61.19 128.79 38.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.586 HD21 ' HB ' ' A' ' 70' ' ' THR . 98.5 mt -87.2 -38.72 16.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -126.24 164.64 20.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -84.84 119.13 24.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 63.3 t80 -107.14 173.27 6.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 21.1 tt0 -162.43 107.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.29 130.76 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 p -104.63 -35.98 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -86.36 -172.76 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -101.23 36.91 1.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -177.81 54.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -128.17 176.35 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.495 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.74 133.47 43.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 m -111.95 111.52 22.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.6 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 13.3 p90 -150.86 170.21 19.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -114.25 -176.15 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.27 141.57 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.87 -32.55 4.79 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -54.73 151.18 8.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.917 HD12 HD22 ' A' ' 73' ' ' LEU . 45.7 mm -93.72 147.84 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.8 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.8 mp -140.77 125.44 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -90.43 108.78 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.3 t -76.18 125.12 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mt -97.26 -32.61 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.79 133.5 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.593 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.5 p30 -132.6 38.7 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.61 -47.39 81.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.6 m-20 -98.96 161.98 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.78 -27.26 12.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.521 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -65.42 -49.56 68.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.521 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 50.0 m95 -123.68 144.14 49.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.051 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -130.63 133.13 45.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.988 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -95.62 108.84 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.23 178.83 18.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 61' ' ' ILE . 23.8 tt0 -135.96 150.47 49.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.495 HD21 HD22 ' A' ' 34' ' ' LEU . 31.3 p30 -148.51 169.42 20.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . 51.6 p-80 -38.34 -53.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.4 mtt-85 -51.0 -53.53 32.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.59 -156.92 28.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.62 165.01 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.24 166.16 23.75 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.63 150.65 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.7 p90 -168.55 163.2 8.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -74.97 137.14 21.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -76.04 -6.11 49.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.56 17.72 7.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -120.15 -1.82 10.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 m -127.28 174.86 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.586 ' HB ' HD21 ' A' ' 23' ' ' LEU . 7.7 t -135.47 132.56 37.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.0 p -73.53 57.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -177.12 94.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.917 HD22 HD12 ' A' ' 41' ' ' ILE . 51.7 mt -53.67 -55.04 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -166.52 154.33 9.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.7 pt -76.88 106.73 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -88.93 -59.29 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.9 m 62.68 113.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.12 137.37 48.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -170.23 -61.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.67 173.74 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.58 82.34 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.2 t 54.84 98.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m 49.87 89.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.65 -149.75 0.57 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 79.21 2.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.3 p -174.17 158.55 3.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.7 p -171.25 114.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p 42.5 82.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -89.85 171.97 9.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.952 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.7 -164.77 12.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.443 1.09 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.34 162.28 1.89 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -170.62 154.29 4.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.56 -154.95 11.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 p 178.34 142.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -174.42 150.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.87 121.06 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -99.23 -58.33 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.12 109.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -156.37 156.07 33.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.63 -51.93 5.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.23 146.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.72 127.11 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.26 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.82 171.49 14.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.238 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -86.13 99.35 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HB2' HD11 ' A' ' 73' ' ' LEU . 1.4 mttt -88.44 145.0 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.695 ' CA ' HD21 ' A' ' 73' ' ' LEU . 18.1 m -141.86 147.66 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.751 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.37 122.93 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.235 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.77 128.95 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD21 ' HB ' ' A' ' 70' ' ' THR . 96.5 mt -87.78 -42.08 12.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.462 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 42.6 m-85 -118.59 170.18 9.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -88.05 126.65 35.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 46.8 t80 -117.84 176.66 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -171.13 117.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' CB ' ' OG1' ' A' ' 35' ' ' THR . . . -40.51 126.84 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.609 HG12 ' OE1' ' A' ' 33' ' ' GLU . 8.2 p -103.9 -32.82 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.29 -170.52 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -100.52 40.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -178.37 51.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.609 ' OE1' HG12 ' A' ' 29' ' ' VAL . 1.2 mt-10 -129.91 172.61 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.535 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.36 129.89 45.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.406 ' OG1' ' CB ' ' A' ' 28' ' ' ALA . 1.8 m -105.47 114.93 29.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.6 p90 -157.87 171.75 19.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -123.77 176.52 6.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -63.18 148.16 48.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.88 -47.91 3.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.103 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.32 141.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.769 HD12 HD22 ' A' ' 73' ' ' LEU . 41.4 mm -91.49 144.46 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.653 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.7 mp -135.87 126.71 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -89.59 108.9 19.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.47 121.21 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mt -93.23 -44.6 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.28 133.02 42.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.425 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 7.6 p-10 -130.74 37.06 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.63 -49.95 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.2 m-20 -98.69 165.7 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.3 -28.82 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -64.83 -51.49 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.427 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 54.2 m95 -118.9 139.99 50.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.042 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -125.88 132.47 52.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -95.13 109.48 21.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.34 179.05 17.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -136.01 147.3 47.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.757 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.535 HD21 HD22 ' A' ' 34' ' ' LEU . 35.1 p30 -144.16 169.23 18.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -38.29 -52.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -51.56 -58.17 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.57 -157.49 29.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.48 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.92 153.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.429 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 177.36 166.74 34.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.58 151.58 22.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.3 p90 -169.39 162.77 7.34 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -74.98 136.91 21.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.528 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 30.4 p -76.96 -8.08 56.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -89.95 17.08 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -117.76 -1.7 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.962 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.451 HG21 HG21 ' A' ' 20' ' ' VAL . 35.0 m -127.83 176.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 21' ' ' ARG . 4.9 t -133.93 164.15 27.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.2 p -114.66 66.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -148.71 -47.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.769 HD22 HD12 ' A' ' 41' ' ' ILE . 69.7 mt 61.02 94.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.2 t30 65.57 117.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.4 mt -107.05 115.5 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -42.8 -51.69 5.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.6 m 51.44 98.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.41 90.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -157.35 73.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.15 139.85 53.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -123.75 168.44 12.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 82' ' ' VAL . 9.1 p -67.69 119.83 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 p -146.72 151.32 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.93 161.46 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.91 34.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.29 134.09 42.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.87 -62.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 p -179.26 144.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t 65.58 154.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.35 132.85 1.54 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.26 146.51 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -171.04 158.47 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.02 133.78 3.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.77 -58.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 0.721 . . . . 0.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.53 137.37 32.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.54 -59.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 62.52 104.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.256 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.91 136.88 48.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -165.47 150.95 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -67.51 125.66 26.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.9 146.1 22.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.8 m -104.46 127.84 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.12 165.83 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.06 104.44 12.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.585 ' CB ' HD11 ' A' ' 73' ' ' LEU . 5.9 mttt -87.85 148.23 24.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.874 HG22 ' O ' ' A' ' 42' ' ' ILE . 15.1 m -145.3 150.44 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.691 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -110.86 122.79 48.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.246 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 125.94 25.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.514 HD11 ' HB ' ' A' ' 70' ' ' THR . 97.2 mt -86.49 -42.79 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 36.6 m-85 -118.44 171.08 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 3.0 p30 -89.2 121.15 31.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.4 t80 -112.85 175.89 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 2.9 mt-10 -170.45 114.3 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.53 134.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.414 HG12 ' OE2' ' A' ' 33' ' ' GLU . 7.5 p -108.31 -32.22 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -101.01 -171.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -100.65 46.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 t30 176.6 50.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -130.18 174.24 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.69 132.46 44.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -110.16 112.47 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.396 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.8 p90 -154.26 171.96 18.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -125.99 172.41 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.52 147.97 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.599 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 89.13 -56.87 4.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' OE2' ' NE2' ' A' ' 58' ' ' HIS . 1.7 mt-10 -38.81 141.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.758 HD12 HD22 ' A' ' 73' ' ' LEU . 46.1 mm -92.27 146.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.874 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.0 mt -135.97 130.51 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.5 mp -92.07 107.88 19.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.15 122.16 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.38 -42.43 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.81 135.17 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.582 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 32.7 p-10 -131.24 46.47 2.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -77.32 -53.95 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 52' ' ' TRP . 2.0 t70 -98.99 123.85 43.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.59 -28.54 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -60.23 -49.08 79.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.541 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 49.4 m95 -127.65 126.46 42.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.582 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -111.86 133.05 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 107.959 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -94.83 112.67 24.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.31 179.08 19.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 26.9 tt0 -135.27 150.69 50.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.511 HD21 HD22 ' A' ' 34' ' ' LEU . 32.8 p30 -146.56 169.5 18.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 57' ' ' ASN . 6.1 p80 -37.54 -54.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 37.8 mtt-85 -50.83 -54.02 27.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.13 -155.14 26.32 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.9 mp -101.79 165.24 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.48 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.93 167.94 27.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.84 147.61 24.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.0 p90 -166.3 163.54 11.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -75.0 139.44 24.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.0 p -79.24 -8.4 59.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.58 21.12 4.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -121.67 -3.49 9.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.04 175.02 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 23' ' ' LEU . 6.7 t -137.27 153.18 50.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.5 p -101.69 56.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.37 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -129.12 -53.85 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.758 HD22 HD12 ' A' ' 41' ' ' ILE . 45.0 mt 62.67 136.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -171.37 108.23 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.9 pt -88.17 102.67 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.66 100.35 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -164.98 126.85 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.3 OUTLIER -177.68 158.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 178.57 93.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.462 ' HB1' ' OG ' ' A' ' 83' ' ' SER . . . -125.17 -55.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 52.5 92.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.6 t 61.79 95.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.462 ' OG ' ' HB1' ' A' ' 80' ' ' ALA . 10.5 p -175.86 137.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.68 76.76 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.52 43.14 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.5 m -103.29 134.99 45.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.956 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -175.26 116.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -171.25 87.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 p -113.18 -59.48 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.39 -133.77 1.85 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -136.85 86.82 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.99 84.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.34 91.67 0.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.7 p -171.49 165.21 6.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.56 157.3 20.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.1 pt -45.25 158.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.12 -61.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.84 129.26 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -143.0 166.15 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -102.35 158.76 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.7 121.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.6 m -97.59 117.83 43.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.49 163.01 25.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 5.2 ttm180 -79.91 100.04 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' CB ' HD11 ' A' ' 73' ' ' LEU . 4.0 mttm -87.86 149.63 24.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 42' ' ' ILE . 17.9 m -147.99 146.23 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.861 ' HD3' HD11 ' A' ' 41' ' ' ILE . 3.4 ttp85 -103.52 123.46 46.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.83 125.92 25.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.03 -41.39 14.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -120.99 172.19 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.7 129.15 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 54.5 t80 -122.33 171.63 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.548 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 26.9 tt0 -162.91 117.09 1.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -47.15 122.71 4.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG12 ' OE1' ' A' ' 33' ' ' GLU . 14.5 p -92.28 -35.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -93.16 -172.88 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.9 24.51 6.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.23 56.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.476 ' OE1' HG12 ' A' ' 29' ' ' VAL . 1.3 mt-10 -132.58 174.38 10.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 57' ' ' ASN . 0.0 OUTLIER -102.12 130.37 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.564 HG22 ' CD ' ' A' ' 59' ' ' ARG . 1.0 OUTLIER -109.42 118.33 36.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.3 p90 -155.43 171.77 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -123.57 177.72 5.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -65.88 147.95 52.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.46 -47.52 3.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -45.58 142.98 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.994 HD12 HD22 ' A' ' 73' ' ' LEU . 47.6 mm -94.71 147.72 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.756 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.7 mp -136.45 126.53 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.41 107.89 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 47.2 t -72.94 125.41 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -97.74 -43.53 7.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.47 134.47 41.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 2.5 p-10 -129.48 28.09 5.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.5 -51.76 11.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.15 166.13 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.02 -28.69 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -53.54 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -113.91 137.01 52.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -124.39 132.46 53.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -97.07 106.27 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -131.89 176.5 19.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.469 1.105 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -130.27 147.18 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD22 ' A' ' 34' ' ' LEU . 37.7 p30 -146.87 169.59 18.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.1 t-80 -37.26 -55.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.612 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.564 ' CD ' HG22 ' A' ' 35' ' ' THR . 3.4 mtt-85 -50.4 -49.22 55.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 156.24 -154.37 25.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.48 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -102.19 162.09 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 167.85 171.45 33.82 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -92.51 152.98 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.6 p90 -172.31 163.37 4.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -74.95 137.35 21.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.554 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 25.2 p -77.78 -8.26 57.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.49 11.04 15.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -112.58 -4.36 14.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 20' ' ' VAL . 35.1 m -125.3 175.11 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 21' ' ' ARG . 4.8 t -134.36 131.34 38.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.3 p -71.91 62.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 174.46 98.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.994 HD22 HD12 ' A' ' 41' ' ' ILE . 30.8 mt -56.77 -54.05 50.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -177.09 155.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.3 mm -106.16 117.88 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -89.59 116.03 27.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.6 p -53.18 109.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.59 59.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.37 71.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.23 78.78 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 62.21 149.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.33 143.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.7 p -88.12 151.62 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.14 160.76 2.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.82 38.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 t -76.13 -59.38 2.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.6 p -129.15 138.96 52.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.933 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -173.31 166.9 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.89 162.27 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.94 -161.18 9.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -176.23 151.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.011 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.0 p -177.41 165.06 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.99 -172.58 23.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.05 109.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.761 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.18 83.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.92 150.28 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.69 149.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tp -101.48 -63.03 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.3 98.28 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -163.88 -55.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -142.61 106.7 4.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 m -98.02 122.94 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.01 155.35 33.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.64 98.76 4.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' CB ' HD11 ' A' ' 73' ' ' LEU . 11.8 mttt -88.01 157.12 18.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 42' ' ' ILE . 17.8 m -153.54 146.29 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.808 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.57 122.97 46.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.5 127.93 34.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.648 HD21 ' HB ' ' A' ' 70' ' ' THR . 96.9 mt -88.32 -42.75 12.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.56 166.69 13.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -86.29 112.4 21.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.622 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.9 t80 -101.07 177.22 5.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' ALA . 14.3 tt0 -171.77 102.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.94 134.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -110.96 -33.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.58 -172.63 4.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -99.7 34.42 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -175.02 54.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.551 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -128.83 173.4 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.463 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.94 135.97 39.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.25 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.718 HG22 HH11 ' A' ' 59' ' ' ARG . 4.2 m -111.03 114.49 27.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.0 p90 -158.79 171.36 20.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -119.65 -176.18 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -75.05 145.64 42.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.596 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.33 -44.0 2.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -48.7 142.48 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.851 HD12 HD22 ' A' ' 73' ' ' LEU . 41.1 mm -90.53 146.65 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.678 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -136.81 131.47 47.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.727 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.2 mp -93.42 109.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.32 126.67 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.5 -37.92 9.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.12 135.9 36.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.591 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 3.8 p30 -134.39 47.73 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -79.59 -50.12 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.84 123.53 43.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.71 -25.71 62.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.551 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -64.62 -44.97 88.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.551 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.4 m95 -131.41 127.09 36.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 107.988 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -112.11 133.21 54.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 107.947 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -95.11 113.62 25.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.73 178.08 20.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.4 tm-20 -136.89 147.86 46.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.463 HD21 HD22 ' A' ' 34' ' ' LEU . 33.4 p30 -145.71 169.31 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' ASN . 4.2 p80 -38.98 -53.29 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.559 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.718 HH11 HG22 ' A' ' 35' ' ' THR . 20.4 mtt180 -51.61 -45.18 63.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.27 -156.81 26.87 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.7 mp -101.56 165.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.497 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 164.7 165.37 21.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -88.59 143.21 27.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 10.8 p90 -161.3 163.2 20.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.01 141.59 26.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.556 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -79.51 -3.81 48.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -93.79 19.05 9.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -120.56 -1.64 10.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.99 174.89 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.648 ' HB ' HD21 ' A' ' 23' ' ' LEU . 5.8 t -136.73 133.88 36.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.5 p -73.25 58.15 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -177.93 98.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.851 HD22 HD12 ' A' ' 41' ' ' ILE . 28.3 mt -57.25 -56.31 23.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -151.59 143.7 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.23 103.51 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -135.23 139.67 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.6 t -90.79 153.28 20.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.15 103.92 9.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.97 65.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.4 173.35 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.18 121.82 15.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.69 154.56 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m 61.62 146.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -143.56 -162.19 9.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -48.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.555 1.819 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -42.92 138.45 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p 178.46 170.24 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.435 1.084 . . . . 0.0 111.024 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.14 85.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 m -139.31 -58.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.27 163.1 50.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.63 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p -92.71 138.84 31.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.71 169.57 34.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.71 114.63 28.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.025 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.72 81.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 mt 63.54 137.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -143.25 90.9 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.42 162.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 60.89 114.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -74.55 124.51 26.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -153.33 131.16 11.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.2 m -112.4 174.48 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.84 172.4 9.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.68 107.52 19.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.677 ' HB2' HD11 ' A' ' 73' ' ' LEU . 5.4 mttt -87.8 146.1 25.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 42' ' ' ILE . 16.0 m -143.31 147.63 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.782 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -105.11 125.14 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 126.99 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.1 mt -86.51 -42.03 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -121.23 170.24 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.87 115.26 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.616 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.3 t80 -103.64 175.49 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.52 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 44.6 tt0 -166.95 102.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -41.07 129.46 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.8 p -96.54 -33.25 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -90.69 -172.88 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.75 15.67 26.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -148.74 41.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.608 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 9.5 mt-10 -119.87 171.38 8.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD22 HD21 ' A' ' 57' ' ' ASN . 0.0 OUTLIER -98.92 129.16 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -111.72 120.74 43.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.616 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 11.7 p90 -155.98 169.08 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -178.59 3.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 131.17 35.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.25 -49.73 0.86 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -42.78 146.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.782 HD11 ' HD3' ' A' ' 21' ' ' ARG . 47.7 mm -91.48 146.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.837 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mt -136.04 127.99 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.628 HD12 ' N ' ' A' ' 43' ' ' ILE . 4.0 mp -89.56 107.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.5 t -72.97 125.68 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -99.39 -39.08 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.42 136.57 43.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.584 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 19.6 p-10 -135.05 45.63 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -51.73 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.74 123.92 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.66 -25.92 64.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.479 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -66.21 -52.22 50.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.1 m95 -121.16 128.44 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.584 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -113.58 137.46 51.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.06 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -99.76 108.06 20.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.9 179.25 17.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.7 tm-20 -133.4 148.9 51.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.526 HD21 HD22 ' A' ' 34' ' ' LEU . 28.9 p30 -144.86 169.51 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -38.36 -53.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.524 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 33.3 mtt-85 -51.56 -54.97 21.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.86 -156.44 28.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.64 165.39 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 166.13 178.98 39.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.555 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -98.26 150.57 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.5 p90 -170.34 163.81 5.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.571 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.93 143.55 29.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -82.21 -11.17 58.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.1 8.15 19.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -110.21 3.35 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.1 m -134.07 173.48 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 21' ' ' ARG . 2.4 t -137.67 141.86 41.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.8 p -92.73 75.01 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.396 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.4 m-20 -155.42 -51.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.7 HD22 HD12 ' A' ' 41' ' ' ILE . 20.6 mt 67.97 -70.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' ASN . 0.8 OUTLIER 63.33 157.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.5 mm 53.26 93.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -174.88 -52.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.274 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.7 m -119.4 111.4 18.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.27 146.34 47.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.8 -64.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 59.47 91.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -123.67 93.59 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.3 p -87.49 143.22 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.85 -55.29 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -157.02 -177.56 30.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 86' ' ' SER . 18.2 Cg_endo -75.01 -69.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 85' ' ' PRO . 1.6 p 87.7 -41.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m 64.22 -174.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.501 1.125 . . . . 0.0 110.956 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m 60.64 92.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -142.16 116.72 9.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.06 -160.45 8.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 p -109.31 159.65 16.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -139.3 140.49 37.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.97 -166.35 27.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -61.2 102.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.28 139.34 24.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.4 tt -66.19 149.83 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -99.58 80.43 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -68.81 -62.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -128.61 165.82 20.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -139.82 -56.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.9 135.8 1.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.73 126.96 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.4 177.17 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.52 101.83 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.686 ' CB ' HD11 ' A' ' 73' ' ' LEU . 9.4 mtmt -88.11 147.57 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 69' ' ' VAL . 13.6 m -143.49 149.57 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.855 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.07 122.82 45.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.17 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.79 122.76 17.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.454 HD21 ' HB ' ' A' ' 70' ' ' THR . 18.5 mt -85.69 -40.96 15.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -122.09 165.91 15.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.04 111.85 21.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 41.4 t80 -97.17 172.21 7.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.39 116.67 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -43.17 134.22 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.631 HG13 ' HG3' ' A' ' 30' ' ' GLU . 7.1 p -107.16 -31.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.631 ' HG3' HG13 ' A' ' 29' ' ' VAL . 18.8 mt-10 -98.25 -168.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -101.63 36.0 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -175.94 48.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE2' HG12 ' A' ' 29' ' ' VAL . 14.5 mt-10 -121.0 176.41 5.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.496 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.46 135.76 39.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -116.32 109.13 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 7.7 p90 -149.68 170.63 18.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -113.05 -176.11 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -80.64 134.46 35.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.565 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.22 -50.44 0.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -47.58 140.56 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.325 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.914 HD12 ' CD2' ' A' ' 73' ' ' LEU . 48.6 mm -89.85 149.3 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.55 136.87 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.727 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.1 mp -93.24 107.68 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.86 126.62 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mt -101.38 -39.02 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.41 133.48 40.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.597 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -138.5 45.59 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.57 10.12 26.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.74 122.92 12.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.66 -16.92 59.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.524 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.1 m-80 -79.95 -48.05 14.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.524 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 54.0 m95 -126.5 143.48 51.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.597 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -127.88 132.72 49.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -96.3 115.15 26.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.81 178.97 20.22 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -134.39 147.05 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.496 HD21 HD22 ' A' ' 34' ' ' LEU . 35.0 p30 -145.44 169.32 18.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -38.52 -53.97 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.28 -51.26 46.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.076 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 159.07 -156.71 27.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.79 161.85 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 165.4 168.9 28.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.6 155.74 19.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 0.797 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.0 p90 -172.51 162.34 4.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.0 137.72 22.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.427 1.751 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 38.6 p -79.55 -13.58 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.95 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -81.25 3.1 25.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -101.4 -20.76 15.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 20' ' ' VAL . 28.7 m -110.29 -179.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 21' ' ' ARG . 3.3 t -140.49 152.18 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.451 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.8 p -100.6 78.56 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -159.96 -52.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.914 ' CD2' HD12 ' A' ' 41' ' ' ILE . 22.3 mt 68.6 138.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -41.82 105.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.0 mm 53.2 100.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.83 152.09 24.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.0 m 63.2 102.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.373 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.77 98.66 9.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -163.26 -62.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.65 81.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -137.08 -61.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.8 t 57.49 97.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -73.9 -56.9 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.61 -165.47 21.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 58.55 4.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 t -65.45 156.68 31.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.8 t 63.34 153.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -87.79 153.42 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.1 m -150.91 145.25 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.784 ' HD3' HD11 ' A' ' 41' ' ' ILE . 2.6 ttp85 -103.1 122.89 45.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 129.12 39.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.622 HD11 ' HB ' ' A' ' 70' ' ' THR . 93.6 mt -90.64 -40.35 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -119.45 161.71 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.48 113.97 21.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.4 t80 -103.02 174.5 5.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 1.7 tt0 -164.49 116.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.96 137.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.63 HG12 ' OE2' ' A' ' 33' ' ' GLU . 5.0 p -111.79 -30.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.19 -169.7 1.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -100.59 30.32 4.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -170.38 51.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.63 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -125.34 175.4 7.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.97 131.3 45.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -111.65 113.3 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.3 p90 -153.6 169.06 24.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.59 -176.12 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -74.52 148.06 41.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.63 -46.4 3.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.44 141.98 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.784 HD11 ' HD3' ' A' ' 21' ' ' ARG . 49.1 mm -90.24 148.35 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.69 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -136.93 128.86 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.5 mp -92.6 107.8 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -74.28 121.89 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.85 -42.17 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.98 132.95 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -135.31 40.58 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -48.93 77.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.9 t0 -98.85 164.92 12.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.64 -25.55 13.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -66.02 -52.55 48.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.514 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 47.8 m95 -119.55 140.62 50.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.5 OUTLIER -125.05 131.12 53.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -94.57 108.74 20.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.99 179.17 17.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 25.0 tt0 -134.25 150.33 51.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.789 . . . . 0.0 110.355 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.569 HD21 HD22 ' A' ' 34' ' ' LEU . 29.6 p30 -150.02 169.63 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -39.02 -52.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -45.19 64.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 150.71 -155.68 26.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 3.1 mt -101.79 162.8 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.66 168.71 28.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.86 152.52 21.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.561 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.8 p90 -170.69 164.74 5.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.561 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.05 141.37 26.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 34.7 p -82.74 -10.32 58.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -89.46 15.44 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.526 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -112.65 -14.92 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.45 177.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.622 ' HB ' HD11 ' A' ' 23' ' ' LEU . 5.3 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.86 151.64 22.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 42' ' ' ILE . 14.4 m -150.6 148.38 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.676 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.54 123.08 46.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 128.88 37.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 70' ' ' THR . 91.2 mt -88.52 -39.96 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -123.6 165.57 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -86.68 112.0 21.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 44.1 t80 -102.89 175.91 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -167.72 106.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.54 135.67 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.8 -34.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.02 -172.52 4.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.37 29.35 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -172.09 55.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -129.88 174.35 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.66 135.23 40.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -115.93 110.04 18.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 11.7 p90 -148.94 168.53 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.79 -177.54 3.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -80.56 127.73 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.16 -48.06 0.98 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -44.81 142.78 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.676 HD11 ' HD3' ' A' ' 21' ' ' ARG . 47.4 mm -85.14 148.2 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -137.25 125.31 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 43' ' ' ILE . 4.1 mp -89.61 107.94 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -74.21 125.34 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 mt -95.5 -41.91 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.63 133.6 36.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.578 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.1 p-10 -130.91 29.74 4.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -49.36 71.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.4 m-20 -99.03 165.3 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.96 -38.19 7.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.516 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -51.8 -54.45 28.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.516 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 46.7 m95 -119.94 147.81 44.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -132.82 133.21 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 107.982 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -94.34 114.03 26.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.62 175.98 22.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 29.7 tt0 -133.99 151.35 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD22 ' A' ' 34' ' ' LEU . 29.7 p30 -148.8 169.37 20.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -38.77 -52.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.605 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -51.41 -52.91 41.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.66 -157.36 28.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.66 165.16 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.472 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 163.65 167.7 24.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.72 150.21 23.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.786 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.2 p90 -168.02 164.36 8.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.5 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.99 137.07 21.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.525 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.5 p -75.78 -8.76 57.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -88.96 14.18 11.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.2 m-85 -116.81 4.46 12.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.8 m -133.16 175.17 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.669 ' HB ' HD21 ' A' ' 23' ' ' LEU . 7.4 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.414 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -87.87 153.17 21.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 42' ' ' ILE . 19.0 m -148.97 146.78 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.783 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.28 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 129.16 39.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.666 HD11 ' HB ' ' A' ' 70' ' ' THR . 91.7 mt -92.52 -36.1 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -128.5 163.48 24.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -84.47 112.57 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 45.3 t80 -105.17 151.08 24.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.81 112.76 8.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -40.42 138.01 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.615 HG12 ' OE1' ' A' ' 33' ' ' GLU . 4.5 p -111.42 -31.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.75 -171.2 2.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.13 38.86 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 8.8 p-10 -177.99 46.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.615 ' OE1' HG12 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -119.62 172.22 7.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.507 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.27 135.38 39.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -117.4 108.52 15.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 6.4 p90 -146.56 168.32 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.97 -178.49 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -81.02 128.93 34.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.547 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.36 -47.85 1.0 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.581 ' OE1' ' CE1' ' A' ' 58' ' ' HIS . 3.7 mt-10 -44.01 146.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.783 HD11 ' HD3' ' A' ' 21' ' ' ARG . 43.2 mm -91.98 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.748 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.7 mp -136.44 127.73 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.239 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.658 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.14 109.27 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 49.9 t -73.12 121.82 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.07 -44.99 8.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -133.45 137.05 45.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -134.99 40.04 2.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.7 t -58.43 -51.47 69.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 5.9 t0 -98.98 164.23 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.08 -30.48 11.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.504 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -61.39 -53.0 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.504 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 46.3 m95 -116.94 145.14 43.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 1.0 OUTLIER -130.46 130.7 44.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -94.84 108.46 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.97 178.28 18.27 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -134.28 146.03 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 0.804 . . . . 0.0 110.258 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.507 HD21 HD22 ' A' ' 34' ' ' LEU . 35.7 p30 -146.04 169.96 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.581 ' CE1' ' OE1' ' A' ' 40' ' ' GLU . 13.3 p-80 -38.4 -54.71 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.622 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 58' ' ' HIS . 1.2 mtt180 -50.87 -45.17 59.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.12 -155.16 25.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.77 164.23 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.33 166.21 23.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.51 151.22 22.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 0.727 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -168.36 162.43 8.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.03 135.71 19.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.596 1.84 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.1 p -73.77 -6.29 46.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -89.54 8.1 32.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.2 m-85 -110.56 5.27 21.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.07 173.71 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.666 ' HB ' HD11 ' A' ' 23' ' ' LEU . 2.7 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 7.9 ttt180 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -88.42 149.55 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 42' ' ' ILE . 24.3 m -148.5 149.66 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.67 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.01 126.8 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.329 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.62 126.0 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 ' HB ' ' A' ' 70' ' ' THR . 97.0 mt -87.44 -40.58 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -120.59 166.04 14.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -89.57 114.35 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 79.5 t80 -105.91 174.04 6.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 11.5 tt0 -162.58 114.32 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.08 135.24 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.737 HG12 ' OE2' ' A' ' 33' ' ' GLU . 5.5 p -109.02 -32.96 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -91.51 -173.28 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -94.83 14.7 20.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -156.86 58.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.737 ' OE2' HG12 ' A' ' 29' ' ' VAL . 1.5 mt-10 -130.21 173.39 10.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.522 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.55 134.14 41.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -115.73 109.35 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 7.3 p90 -148.35 170.23 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -116.97 -175.98 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -74.4 148.27 41.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.592 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 -46.68 3.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.3 mt-10 -44.07 142.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.67 HD11 ' HD3' ' A' ' 21' ' ' ARG . 42.5 mm -89.84 146.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.736 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -136.63 126.02 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.96 107.94 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 46.1 t -72.83 123.97 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -97.31 -44.13 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.76 132.92 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -132.77 33.03 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.64 -51.96 63.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.443 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.7 m-20 -98.87 167.13 10.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.93 -33.44 8.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.7 m-80 -57.16 -57.06 14.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.477 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 45.5 m95 -115.11 143.25 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.028 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.8 OUTLIER -127.31 133.05 50.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.0 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -97.02 106.75 19.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.75 174.96 20.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' CG ' HG13 ' A' ' 61' ' ' ILE . 3.4 tm-20 -130.46 148.69 52.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.746 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.522 HD21 HD22 ' A' ' 34' ' ' LEU . 30.9 p30 -147.06 169.18 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.451 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 7.6 p80 -39.13 -52.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.649 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.411 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -51.13 -49.85 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.37 -157.62 28.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.64 163.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.452 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 163.95 168.68 26.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.46 157.08 18.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 12.9 p90 -174.32 163.77 2.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.465 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.6 Cg_endo -74.9 140.58 25.92 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.065 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.559 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -79.3 -8.3 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.84 19.57 5.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -120.98 3.13 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.18 177.88 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 21' ' ' ARG . 2.9 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -87.89 154.34 20.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 42' ' ' ILE . 24.6 m -149.83 148.34 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.807 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.16 122.95 45.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 124.02 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -82.53 -44.52 15.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 22.5 m-85 -121.26 165.82 14.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -85.29 118.24 24.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.614 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.2 t80 -104.37 175.66 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.518 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 38.9 tt0 -167.98 114.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -40.02 134.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.556 HG12 ' OE1' ' A' ' 33' ' ' GLU . 7.2 p -109.48 -31.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.01 -168.42 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.16 45.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 t30 175.69 56.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.556 ' OE1' HG12 ' A' ' 29' ' ' VAL . 1.2 mt-10 -133.45 175.78 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.78 133.25 43.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -110.36 109.05 19.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.5 p90 -150.73 172.56 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -119.32 -175.91 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -74.81 149.65 39.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.595 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 86.7 -54.88 4.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.452 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.1 mt-10 -38.91 142.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.807 HD11 ' HD3' ' A' ' 21' ' ' ARG . 44.2 mm -91.55 147.17 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.0 mt -135.97 128.34 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.633 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -88.88 108.37 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' ARG . 44.1 t -73.0 126.05 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.38 -43.02 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.12 133.02 38.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.6 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 12.9 p-10 -129.75 46.54 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.41 -52.21 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -98.79 122.79 42.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.17 -29.65 66.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.542 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -59.32 -47.3 85.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.3 m95 -130.25 126.39 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 108.012 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.6 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -111.41 133.03 54.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 107.957 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -96.12 110.32 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.09 177.65 19.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -134.71 147.2 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.518 HD21 HD22 ' A' ' 34' ' ' LEU . 31.6 p30 -144.49 169.24 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.452 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 8.7 p80 -38.39 -53.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -51.08 53.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.76 -156.53 27.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.55 164.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 166.62 169.45 30.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -91.41 149.63 21.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.2 p90 -168.73 163.42 8.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -75.07 142.7 27.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.535 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.4 p -84.85 -3.18 58.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.47 12.11 21.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -109.61 -25.35 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 m -103.58 -179.51 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 21' ' ' ARG . 5.6 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.443 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -87.88 151.82 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 42' ' ' ILE . 30.2 m -146.04 149.59 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -105.47 125.16 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HA ' HG12 ' A' ' 69' ' ' VAL . . . -62.9 123.89 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.518 HD21 ' HB ' ' A' ' 70' ' ' THR . 83.7 mt -84.82 -42.23 15.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -120.84 166.57 13.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -87.0 111.83 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.598 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 21.5 t80 -99.5 177.34 5.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.9 tm-20 -172.84 100.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.83 136.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 p -107.4 -30.3 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -99.32 -176.54 3.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.231 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -97.61 48.18 1.02 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -179.63 45.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.489 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -130.64 173.89 10.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.501 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.65 136.28 38.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -114.09 108.55 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.4 p90 -152.07 170.81 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -115.85 -176.14 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.86 149.49 41.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.554 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.01 -45.84 3.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.96 145.6 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.609 HD11 ' HD3' ' A' ' 21' ' ' ARG . 44.0 mm -92.88 145.81 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.817 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.5 mp -136.31 127.07 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.682 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.6 mp -92.52 108.94 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.02 121.03 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.16 -45.35 7.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.78 148.25 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' SER . 3.6 p-10 -136.83 28.09 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -39.1 -46.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.78 162.26 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.53 -23.61 15.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.68 -53.3 6.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -101.74 129.67 47.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.022 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 1.6 m0 -118.24 130.68 56.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 108.031 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -95.1 107.83 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.43 178.48 18.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.564 ' OE1' HD11 ' A' ' 61' ' ' ILE . 18.6 tt0 -134.74 148.52 50.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.278 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.501 HD21 HD22 ' A' ' 34' ' ' LEU . 31.5 p30 -147.81 169.35 19.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.423 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 6.3 p80 -38.42 -52.93 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 1.5 mtt180 -52.29 -47.45 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 153.78 -156.43 26.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.564 HD11 ' OE1' ' A' ' 56' ' ' GLU . 2.8 mp -101.69 164.97 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.471 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 164.26 165.36 21.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.52 146.91 24.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 13.8 p90 -163.8 163.77 15.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.07 138.18 22.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 19.8 p -76.45 -7.14 54.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.77 14.01 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -115.34 -1.35 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 22' ' ' ALA . 34.2 m -130.59 178.95 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.518 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.3 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' C ' HG13 ' A' ' 20' ' ' VAL . 2.0 mtpt -87.82 156.4 19.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.9 m -151.25 147.16 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.821 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -102.98 124.03 47.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 124.84 21.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.609 HD11 ' HB ' ' A' ' 70' ' ' THR . 79.9 mt -88.14 -40.5 13.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -118.15 163.16 17.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.52 116.57 23.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.61 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 42.3 t80 -105.79 176.55 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' ALA . 4.0 tt0 -171.12 99.42 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB1' ' CB ' ' A' ' 33' ' ' GLU . . . -39.12 134.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -107.91 -34.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.66 -172.52 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -101.22 24.75 9.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -163.57 50.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.498 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -126.36 174.64 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.527 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.8 135.28 40.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -113.08 108.92 17.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.0 p90 -151.36 170.35 19.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -121.03 -179.01 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.96 149.76 47.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.12 -49.41 3.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -45.27 143.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.821 HD11 ' HD3' ' A' ' 21' ' ' ARG . 46.9 mm -93.43 147.94 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.694 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -136.41 127.94 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.7 mp -90.56 107.86 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' ARG . 57.4 t -74.49 124.49 32.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.06 -42.35 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.83 132.88 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.549 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -132.25 41.83 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -51.64 22.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -98.98 123.3 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.84 -27.12 64.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.517 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.8 OUTLIER -63.29 -50.53 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.517 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 51.3 m95 -124.28 127.39 47.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -111.07 133.38 53.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 107.989 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -96.97 107.75 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.26 178.56 18.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 21.8 tt0 -133.96 149.55 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.527 HD21 HD22 ' A' ' 34' ' ' LEU . 33.9 p30 -147.9 169.47 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -38.74 -53.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -50.86 -48.19 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.7 -156.32 26.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.66 163.48 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.77 168.35 27.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.66 151.46 22.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.7 p90 -170.54 164.96 5.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -74.96 141.37 26.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.573 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 51.8 p -83.16 -10.31 58.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.87 16.31 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -113.13 -13.9 12.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 20' ' ' VAL . 32.3 m -114.58 -179.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.609 ' HB ' HD11 ' A' ' 23' ' ' LEU . 9.2 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -87.99 150.28 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.8 m -150.5 145.08 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.78 ' HD3' HD11 ' A' ' 41' ' ' ILE . 1.2 ttp180 -103.06 123.89 47.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 127.65 33.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.653 HD21 ' HB ' ' A' ' 70' ' ' THR . 96.9 mt -86.64 -42.67 13.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -119.59 168.9 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -88.83 115.27 26.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 74.6 t80 -106.43 173.03 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 40.1 tt0 -162.23 121.18 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.07 134.07 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG12 ' OE2' ' A' ' 33' ' ' GLU . 7.5 p -109.27 -33.02 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -100.58 -168.14 1.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -105.13 45.9 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 t30 176.36 46.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -124.73 175.34 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.509 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.85 132.9 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -112.28 109.81 19.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 7.1 p90 -148.99 172.14 15.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -121.94 -179.65 4.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -71.51 145.18 49.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.34 -41.43 3.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.551 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 2.0 mt-10 -50.89 142.93 10.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.763 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.78 HD11 ' HD3' ' A' ' 21' ' ' ARG . 41.5 mm -91.76 144.86 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -136.47 129.63 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.2 mp -94.08 109.67 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -73.22 121.88 24.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.35 -30.49 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.45 134.6 19.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.593 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 3.6 p-10 -131.33 50.04 2.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -80.79 -51.32 8.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.95 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -98.87 124.5 43.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.1 -21.89 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.542 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -69.6 -40.24 76.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 57.6 m95 -135.31 126.97 29.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -113.14 133.04 55.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.015 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.03 110.13 22.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.99 178.18 18.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' CG ' HG13 ' A' ' 61' ' ' ILE . 1.7 tm-20 -134.24 146.51 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.509 HD21 HD22 ' A' ' 34' ' ' LEU . 31.6 p30 -143.39 169.44 17.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.551 ' HE2' ' CD ' ' A' ' 40' ' ' GLU . 8.4 p80 -37.93 -54.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -50.53 -54.56 21.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.27 -156.28 27.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.475 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.64 165.13 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.749 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.475 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 164.83 167.88 26.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -89.39 150.94 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.36 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.2 p90 -168.94 162.96 7.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.06 141.05 26.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -78.25 -6.89 56.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -90.97 19.18 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -122.93 8.01 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.45 176.57 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.653 ' HB ' HD21 ' A' ' 23' ' ' LEU . 7.2 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.92 153.22 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 42' ' ' ILE . 24.8 m -147.14 152.16 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.741 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.85 123.14 47.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 122.94 15.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.46 HD21 ' HB ' ' A' ' 70' ' ' THR . 97.7 mt -84.21 -41.07 17.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -121.62 167.77 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.82 114.87 25.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.8 t80 -104.09 176.96 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 28' ' ' ALA . 19.4 tt0 -171.49 99.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.473 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.94 133.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 p -108.72 -34.77 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -83.87 -172.73 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -103.41 46.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 t30 174.66 47.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 1.2 mt-10 -126.32 175.24 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.49 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.86 135.6 40.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -113.21 109.06 18.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.626 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 12.5 p90 -150.51 167.59 26.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -175.94 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -78.03 130.48 36.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 107.08 -56.32 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.423 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 5.5 mt-10 -38.22 140.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.773 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.741 HD11 ' HD3' ' A' ' 21' ' ' ARG . 45.8 mm -86.26 148.03 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.746 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mt -135.97 126.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -88.95 108.89 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.5 t -73.85 128.39 36.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.95 -42.17 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.5 132.96 39.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 37.4 p-10 -131.46 31.41 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -51.12 68.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.3 m-20 -98.98 166.1 11.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.15 -35.01 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.497 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -54.88 -53.97 48.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 48.7 m95 -119.5 146.47 45.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.5 OUTLIER -131.82 131.33 42.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 108.033 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -94.78 110.45 22.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.1 178.3 18.66 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.6 tm-20 -134.21 147.45 50.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.49 HD21 HD22 ' A' ' 34' ' ' LEU . 36.8 p30 -147.9 170.21 18.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 6.2 p80 -37.44 -55.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.634 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.49 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -50.63 -46.29 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.98 -154.34 25.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.68 164.28 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 166.19 166.57 25.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.53 149.53 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 10.1 p90 -168.09 164.51 8.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.06 136.08 19.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.3 p -74.22 -10.76 59.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.78 10.78 14.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -114.28 7.73 16.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.76 173.49 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 21' ' ' ARG . 4.9 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -87.82 150.58 23.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 42' ' ' ILE . 25.5 m -150.44 147.41 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.855 ' HD3' HD11 ' A' ' 41' ' ' ILE . 1.4 ttp85 -102.87 125.23 49.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.68 126.8 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.625 HD11 ' HB ' ' A' ' 70' ' ' THR . 91.9 mt -88.86 -41.41 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -117.87 162.91 17.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.29 113.82 21.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 35.0 t80 -102.62 169.89 8.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -162.58 112.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.47 138.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.492 HG12 ' OE2' ' A' ' 33' ' ' GLU . 4.7 p -111.69 -30.7 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -99.11 -167.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -103.39 34.64 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -172.77 47.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -122.62 174.13 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.88 134.25 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -113.37 109.32 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 8.9 p90 -149.63 170.75 17.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -121.82 177.87 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -68.86 145.6 53.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.541 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.03 -44.65 2.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.32 142.63 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.855 HD11 ' HD3' ' A' ' 21' ' ' ARG . 45.5 mm -93.18 146.04 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.64 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.0 mt -135.8 128.84 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.664 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.7 mp -90.08 107.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -73.31 126.4 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -100.15 -43.29 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.18 133.85 46.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 33.3 p-10 -133.54 47.4 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -52.9 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -98.87 122.22 41.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -28.63 67.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.523 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -60.7 -50.62 72.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.2 m95 -125.89 127.22 45.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -111.04 138.37 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -102.03 107.63 18.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.32 178.93 17.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -133.32 147.76 51.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD22 ' A' ' 34' ' ' LEU . 34.4 p30 -144.07 169.67 17.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -37.54 -55.39 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.611 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.2 mtt-85 -50.24 -54.93 17.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.56 -155.18 26.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.81 164.27 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 166.56 169.77 30.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -88.87 153.35 21.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.0 p90 -173.0 163.78 3.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.54 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -74.99 141.83 27.16 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 51.7 p -82.61 -9.52 59.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -90.86 18.59 6.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -116.71 -8.19 11.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.96 176.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.625 ' HB ' HD11 ' A' ' 23' ' ' LEU . 6.0 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -88.33 148.38 24.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 42' ' ' ILE . 27.9 m -145.7 148.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.625 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.2 125.64 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 125.54 24.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.479 HD11 ' HB ' ' A' ' 70' ' ' THR . 88.5 mt -87.97 -40.07 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -120.45 163.83 17.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -85.59 112.06 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.615 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 23.9 t80 -99.72 177.05 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' ALA . 18.9 tt0 -171.23 100.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -39.08 136.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.45 -33.85 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -82.49 -172.75 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -99.78 33.58 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 9.7 p-10 -176.04 50.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.518 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -123.04 175.35 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.529 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -100.9 136.0 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -114.7 107.83 15.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.615 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.7 p90 -151.04 170.43 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -117.0 -176.03 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -71.04 150.43 45.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 84.59 -50.6 4.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLY . 1.6 mt-10 -38.75 142.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.625 HD11 ' HD3' ' A' ' 21' ' ' ARG . 43.1 mm -91.04 146.49 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.733 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -136.55 125.97 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.659 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.84 108.12 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -73.72 121.49 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -97.75 -45.35 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.56 133.93 47.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -133.96 39.68 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -52.52 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -98.86 140.12 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.4 -23.7 40.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.509 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -67.2 -53.1 33.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.509 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 44.7 m95 -116.55 144.95 43.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.5 OUTLIER -128.37 131.33 48.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 107.969 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -96.38 106.01 18.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.42 178.73 17.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' CG ' HG13 ' A' ' 61' ' ' ILE . 31.4 tt0 -132.21 151.96 51.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.529 HD21 HD22 ' A' ' 34' ' ' LEU . 36.0 p30 -151.93 169.83 21.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -38.05 -54.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.578 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -51.55 -45.97 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.15 -155.15 25.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.439 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.71 161.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 167.64 167.25 28.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -88.65 149.89 23.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 12.7 p90 -167.67 163.84 9.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.01 138.46 23.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -76.48 -9.06 58.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -91.74 22.2 4.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -122.27 3.16 9.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.3 m -133.1 179.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.479 ' HB ' HD11 ' A' ' 23' ' ' LEU . 3.7 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' C ' HG13 ' A' ' 20' ' ' VAL . 6.1 mttt -87.86 155.75 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 42' ' ' ILE . 21.1 m -152.02 145.02 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.596 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -102.93 123.32 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.76 127.72 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.559 HD21 ' HB ' ' A' ' 70' ' ' THR . 89.3 mt -86.83 -40.02 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 20.1 m-85 -123.14 171.45 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.8 119.55 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 54.5 t80 -110.16 176.08 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -170.1 105.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.54 133.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 p -104.45 -29.96 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -98.24 -170.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -100.9 33.33 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -166.67 51.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.582 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 1.2 mt-10 -132.53 170.74 14.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.573 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.71 131.75 44.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m -106.35 110.89 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.4 p90 -152.27 170.03 21.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -120.35 -177.78 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 39' ' ' GLY . 1.7 t-80 -68.79 146.91 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 87.34 -52.44 4.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.43 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.7 mt-10 -38.28 140.47 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.735 . . . . 0.0 110.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.596 HD11 ' HD3' ' A' ' 21' ' ' ARG . 45.9 mm -93.46 146.22 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.568 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -135.72 134.02 51.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.734 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.0 mp -94.14 107.87 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.93 121.29 27.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mt -91.21 -41.21 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.71 132.95 39.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.606 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 5.7 p-10 -132.39 51.85 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.77 -34.81 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -102.4 111.71 24.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.6 -27.9 68.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.537 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 2.2 m-80 -65.85 -48.94 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 51.8 m95 -129.69 127.58 40.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 107.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.606 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -109.91 133.99 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -95.55 114.61 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.51 179.16 19.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -137.38 147.21 45.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 110.304 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.573 HD21 HD22 ' A' ' 34' ' ' LEU . 40.2 p30 -144.79 169.81 17.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.441 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 11.5 p80 -38.33 -54.54 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.441 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -51.51 -44.63 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 150.66 -154.25 25.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.76 163.05 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 169.95 165.68 27.71 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.34 142.65 27.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.0 p90 -162.59 163.49 17.96 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -75.03 144.98 30.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.3 p -86.94 -4.14 59.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -92.62 15.74 13.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -113.53 -26.87 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 111.062 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.53 HG21 HG21 ' A' ' 20' ' ' VAL . 33.0 m -101.64 179.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.559 ' HB ' HD21 ' A' ' 23' ' ' LEU . 9.4 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.85 149.6 24.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 42' ' ' ILE . 20.4 m -141.24 150.56 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.634 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.53 123.55 47.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.24 122.93 18.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.631 HD11 ' HB ' ' A' ' 70' ' ' THR . 65.2 mt -84.96 -42.48 14.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -122.02 163.25 19.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -84.97 112.99 21.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.604 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.5 t80 -99.49 177.27 5.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.3 tt0 -169.95 101.21 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -39.17 132.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.25 -35.37 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -83.71 -172.75 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -100.83 35.59 2.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -175.17 50.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.456 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -125.66 174.04 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.469 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -99.09 137.29 37.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -112.75 109.91 19.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.604 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 8.7 p90 -154.05 171.18 19.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -119.19 -176.48 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.363 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.75 151.15 43.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 84.66 -55.76 5.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' GLY . 3.0 mt-10 -38.79 142.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 110.255 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.634 HD11 ' HD3' ' A' ' 21' ' ' ARG . 42.8 mm -92.63 148.74 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.848 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mp -136.05 124.04 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.542 HD12 ' N ' ' A' ' 43' ' ' ILE . 4.5 mp -84.43 110.14 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.5 t -76.75 121.87 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.31 -43.73 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.24 132.89 43.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -131.91 27.23 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 t -48.51 -50.68 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.433 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 3.6 m-20 -99.74 167.08 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.05 -41.56 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.441 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.4 m-80 -48.07 -58.9 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.441 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 47.3 m95 -115.26 146.37 41.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.4 OUTLIER -129.08 138.75 52.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -103.16 107.17 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.57 179.08 17.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 13.0 tt0 -133.64 147.95 51.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.469 HD21 HD22 ' A' ' 34' ' ' LEU . 34.4 p30 -148.24 170.18 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 5.3 p80 -37.6 -55.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.566 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -51.04 -46.17 61.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.2 -154.08 25.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 62' ' ' GLY . 3.0 mt -101.76 165.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.483 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.03 166.34 23.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -88.53 147.1 24.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.3 p90 -166.11 164.02 11.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.5 Cg_endo -74.94 137.42 21.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 37.2 p -80.57 -4.88 55.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -84.85 -14.75 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.5 m-85 -82.04 -28.1 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.3 m -101.43 178.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.631 ' HB ' HD11 ' A' ' 23' ' ' LEU . 3.6 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.68 152.33 22.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 42' ' ' ILE . 19.0 m -147.03 146.93 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.678 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -102.96 122.92 45.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 42' ' ' ILE . . . -61.19 128.79 38.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.586 HD21 ' HB ' ' A' ' 70' ' ' THR . 98.5 mt -87.2 -38.72 16.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -126.24 164.64 20.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -84.84 119.13 24.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 63.3 t80 -107.14 173.27 6.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 21.1 tt0 -162.43 107.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.29 130.76 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 p -104.63 -35.98 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -86.36 -172.76 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -101.23 36.91 1.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -177.81 54.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -128.17 176.35 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.495 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.74 133.47 43.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 m -111.95 111.52 22.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.6 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 13.3 p90 -150.86 170.21 19.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -114.25 -176.15 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.27 141.57 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.87 -32.55 4.79 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -54.73 151.18 8.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.678 HD11 ' HD3' ' A' ' 21' ' ' ARG . 45.7 mm -93.72 147.84 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.8 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.8 mp -140.77 125.44 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -90.43 108.78 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.3 t -76.18 125.12 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mt -97.26 -32.61 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.79 133.5 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.593 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.5 p30 -132.6 38.7 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.61 -47.39 81.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.476 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.6 m-20 -98.96 161.98 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.78 -27.26 12.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.521 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -65.42 -49.56 68.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.521 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 50.0 m95 -123.68 144.14 49.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.051 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -130.63 133.13 45.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.988 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -95.62 108.84 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.23 178.83 18.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 61' ' ' ILE . 23.8 tt0 -135.96 150.47 49.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.495 HD21 HD22 ' A' ' 34' ' ' LEU . 31.3 p30 -148.51 169.42 20.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . 11.5 p80 -38.34 -53.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' HG3' ' CE1' ' A' ' 58' ' ' HIS . 14.4 mtt-85 -51.0 -53.53 32.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.59 -156.92 28.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.62 165.01 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.24 166.16 23.75 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.63 150.65 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.7 p90 -168.55 163.2 8.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -74.97 137.14 21.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -76.04 -6.11 49.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.56 17.72 7.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -120.15 -1.82 10.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 m -127.28 174.86 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.586 ' HB ' HD21 ' A' ' 23' ' ' LEU . 7.7 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -88.44 145.0 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.653 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.1 m -141.86 147.66 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.751 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.37 122.93 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.235 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.77 128.95 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.451 HD21 ' HB ' ' A' ' 70' ' ' THR . 96.5 mt -87.78 -42.08 12.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.462 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 42.6 m-85 -118.59 170.18 9.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -88.05 126.65 35.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 46.8 t80 -117.84 176.66 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -171.13 117.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' CB ' ' OG1' ' A' ' 35' ' ' THR . . . -40.51 126.84 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.609 HG12 ' OE1' ' A' ' 33' ' ' GLU . 8.2 p -103.9 -32.82 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.29 -170.52 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -100.52 40.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -178.37 51.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.609 ' OE1' HG12 ' A' ' 29' ' ' VAL . 1.2 mt-10 -129.91 172.61 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.535 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.36 129.89 45.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.406 ' OG1' ' CB ' ' A' ' 28' ' ' ALA . 1.8 m -105.47 114.93 29.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.6 p90 -157.87 171.75 19.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -123.77 176.52 6.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -63.18 148.16 48.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.88 -47.91 3.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.103 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.32 141.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.751 HD11 ' HD3' ' A' ' 21' ' ' ARG . 41.4 mm -91.49 144.46 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.653 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.7 mp -135.87 126.71 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -89.59 108.9 19.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.47 121.21 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mt -93.23 -44.6 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.28 133.02 42.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.425 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 7.6 p-10 -130.74 37.06 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.63 -49.95 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.2 m-20 -98.69 165.7 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.3 -28.82 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -64.83 -51.49 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.427 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 54.2 m95 -118.9 139.99 50.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.042 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -125.88 132.47 52.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -95.13 109.48 21.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.34 179.05 17.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -136.01 147.3 47.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.757 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.535 HD21 HD22 ' A' ' 34' ' ' LEU . 35.1 p30 -144.16 169.23 18.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.471 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -38.29 -52.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -51.56 -58.17 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.57 -157.49 29.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.48 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.92 153.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.429 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 177.36 166.74 34.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.58 151.58 22.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.3 p90 -169.39 162.77 7.34 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -74.98 136.91 21.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.528 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 30.4 p -76.96 -8.08 56.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -89.95 17.08 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -117.76 -1.7 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.962 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.451 HG21 HG21 ' A' ' 20' ' ' VAL . 35.0 m -127.83 176.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 21' ' ' ARG . 4.9 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -87.85 148.23 24.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.874 HG22 ' O ' ' A' ' 42' ' ' ILE . 15.1 m -145.3 150.44 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.691 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -110.86 122.79 48.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.246 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 125.94 25.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.514 HD11 ' HB ' ' A' ' 70' ' ' THR . 97.2 mt -86.49 -42.79 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 36.6 m-85 -118.44 171.08 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 3.0 p30 -89.2 121.15 31.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.4 t80 -112.85 175.89 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.468 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 2.9 mt-10 -170.45 114.3 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.53 134.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.414 HG12 ' OE2' ' A' ' 33' ' ' GLU . 7.5 p -108.31 -32.22 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -101.01 -171.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -100.65 46.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 t30 176.6 50.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -130.18 174.24 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.69 132.46 44.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -110.16 112.47 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.396 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.8 p90 -154.26 171.96 18.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -125.99 172.41 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 147.97 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.599 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 89.13 -56.87 4.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' OE2' ' NE2' ' A' ' 58' ' ' HIS . 1.7 mt-10 -38.81 141.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.691 HD11 ' HD3' ' A' ' 21' ' ' ARG . 46.1 mm -92.27 146.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.874 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.0 mt -135.97 130.51 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.5 mp -92.07 107.88 19.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.15 122.16 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.38 -42.43 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.81 135.17 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.582 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 32.7 p-10 -131.24 46.47 2.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -77.32 -53.95 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 52' ' ' TRP . 2.0 t70 -98.99 123.85 43.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.59 -28.54 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -60.23 -49.08 79.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.541 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 49.4 m95 -127.65 126.46 42.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.582 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -111.86 133.05 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 107.959 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -94.83 112.67 24.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.31 179.08 19.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 26.9 tt0 -135.27 150.69 50.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.511 HD21 HD22 ' A' ' 34' ' ' LEU . 32.8 p30 -146.56 169.5 18.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 57' ' ' ASN . 6.1 p80 -37.54 -54.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 37.8 mtt-85 -50.83 -54.02 27.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.13 -155.14 26.32 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.9 mp -101.79 165.24 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.48 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.93 167.94 27.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.84 147.61 24.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.0 p90 -166.3 163.54 11.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -75.0 139.44 24.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.0 p -79.24 -8.4 59.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.58 21.12 4.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -121.67 -3.49 9.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.04 175.02 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 23' ' ' LEU . 6.7 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 5.2 ttm180 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -87.86 149.63 24.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 42' ' ' ILE . 17.9 m -147.99 146.23 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.861 ' HD3' HD11 ' A' ' 41' ' ' ILE . 3.4 ttp85 -103.52 123.46 46.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.83 125.92 25.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.03 -41.39 14.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -120.99 172.19 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.7 129.15 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 54.5 t80 -122.33 171.63 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.548 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 26.9 tt0 -162.91 117.09 1.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -47.15 122.71 4.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG12 ' OE1' ' A' ' 33' ' ' GLU . 14.5 p -92.28 -35.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -93.16 -172.88 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.9 24.51 6.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.23 56.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.476 ' OE1' HG12 ' A' ' 29' ' ' VAL . 1.3 mt-10 -132.58 174.38 10.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 57' ' ' ASN . 0.0 OUTLIER -102.12 130.37 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.564 HG22 ' CD ' ' A' ' 59' ' ' ARG . 1.0 OUTLIER -109.42 118.33 36.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.3 p90 -155.43 171.77 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -123.57 177.72 5.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -65.88 147.95 52.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.46 -47.52 3.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -45.58 142.98 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.861 HD11 ' HD3' ' A' ' 21' ' ' ARG . 47.6 mm -94.71 147.72 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.756 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.7 mp -136.45 126.53 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.41 107.89 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 47.2 t -72.94 125.41 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -97.74 -43.53 7.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.47 134.47 41.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 2.5 p-10 -129.48 28.09 5.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.5 -51.76 11.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.15 166.13 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.02 -28.69 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -53.54 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -113.91 137.01 52.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -124.39 132.46 53.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -97.07 106.27 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -131.89 176.5 19.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.469 1.105 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -130.27 147.18 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD22 ' A' ' 34' ' ' LEU . 37.7 p30 -146.87 169.59 18.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.1 t-80 -37.26 -55.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.612 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.564 ' CD ' HG22 ' A' ' 35' ' ' THR . 3.4 mtt-85 -50.4 -49.22 55.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 156.24 -154.37 25.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.48 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -102.19 162.09 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 167.85 171.45 33.82 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -92.51 152.98 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.6 p90 -172.31 163.37 4.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -74.95 137.35 21.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.554 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 25.2 p -77.78 -8.26 57.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.49 11.04 15.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -112.58 -4.36 14.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 20' ' ' VAL . 35.1 m -125.3 175.11 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 21' ' ' ARG . 4.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.385 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' C ' HG13 ' A' ' 20' ' ' VAL . 11.8 mttt -88.01 157.12 18.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 42' ' ' ILE . 17.8 m -153.54 146.29 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.808 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.57 122.97 46.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.5 127.93 34.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.648 HD21 ' HB ' ' A' ' 70' ' ' THR . 96.9 mt -88.32 -42.75 12.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.56 166.69 13.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -86.29 112.4 21.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.622 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.9 t80 -101.07 177.22 5.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' ALA . 14.3 tt0 -171.77 102.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.94 134.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -110.96 -33.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.58 -172.63 4.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -99.7 34.42 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -175.02 54.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.551 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -128.83 173.4 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.463 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.94 135.97 39.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.25 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.718 HG22 HH11 ' A' ' 59' ' ' ARG . 4.2 m -111.03 114.49 27.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.0 p90 -158.79 171.36 20.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -119.65 -176.18 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.05 145.64 42.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.596 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.33 -44.0 2.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -48.7 142.48 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.808 HD11 ' HD3' ' A' ' 21' ' ' ARG . 41.1 mm -90.53 146.65 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.678 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -136.81 131.47 47.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.727 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.2 mp -93.42 109.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.32 126.67 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.5 -37.92 9.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.12 135.9 36.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.591 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 3.8 p30 -134.39 47.73 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -79.59 -50.12 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.84 123.53 43.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.71 -25.71 62.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.551 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -64.62 -44.97 88.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.551 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.4 m95 -131.41 127.09 36.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 107.988 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -112.11 133.21 54.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 107.947 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -95.11 113.62 25.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.73 178.08 20.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.4 tm-20 -136.89 147.86 46.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.463 HD21 HD22 ' A' ' 34' ' ' LEU . 33.4 p30 -145.71 169.31 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' ASN . 4.2 p80 -38.98 -53.29 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.559 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.718 HH11 HG22 ' A' ' 35' ' ' THR . 20.4 mtt180 -51.61 -45.18 63.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.27 -156.81 26.87 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.7 mp -101.56 165.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.497 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 164.7 165.37 21.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -88.59 143.21 27.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 10.8 p90 -161.3 163.2 20.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.01 141.59 26.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.556 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -79.51 -3.81 48.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -93.79 19.05 9.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -120.56 -1.64 10.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.99 174.89 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.648 ' HB ' HD21 ' A' ' 23' ' ' LEU . 5.8 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -87.8 146.1 25.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 42' ' ' ILE . 16.0 m -143.31 147.63 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.782 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -105.11 125.14 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 126.99 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.1 mt -86.51 -42.03 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -121.23 170.24 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.87 115.26 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.616 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.3 t80 -103.64 175.49 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.52 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 44.6 tt0 -166.95 102.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -41.07 129.46 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.8 p -96.54 -33.25 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -90.69 -172.88 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.75 15.67 26.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -148.74 41.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.608 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 9.5 mt-10 -119.87 171.38 8.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD22 HD21 ' A' ' 57' ' ' ASN . 0.0 OUTLIER -98.92 129.16 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -111.72 120.74 43.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.616 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 11.7 p90 -155.98 169.08 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -178.59 3.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -80.29 131.17 35.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.25 -49.73 0.86 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -42.78 146.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.782 HD11 ' HD3' ' A' ' 21' ' ' ARG . 47.7 mm -91.48 146.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.837 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mt -136.04 127.99 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.628 HD12 ' N ' ' A' ' 43' ' ' ILE . 4.0 mp -89.56 107.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.5 t -72.97 125.68 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -99.39 -39.08 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.42 136.57 43.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.584 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 19.6 p-10 -135.05 45.63 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -51.73 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.74 123.92 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.66 -25.92 64.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.479 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -66.21 -52.22 50.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.1 m95 -121.16 128.44 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.584 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -113.58 137.46 51.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.06 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -99.76 108.06 20.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.9 179.25 17.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.7 tm-20 -133.4 148.9 51.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.526 HD21 HD22 ' A' ' 34' ' ' LEU . 28.9 p30 -144.86 169.51 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -38.36 -53.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.524 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 33.3 mtt-85 -51.56 -54.97 21.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.86 -156.44 28.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.64 165.39 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 166.13 178.98 39.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.555 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -98.26 150.57 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.5 p90 -170.34 163.81 5.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.571 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.93 143.55 29.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -82.21 -11.17 58.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.1 8.15 19.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -110.21 3.35 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.1 m -134.07 173.48 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 21' ' ' ARG . 2.4 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -88.11 147.57 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 69' ' ' VAL . 13.6 m -143.49 149.57 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.855 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.07 122.82 45.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.17 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.79 122.76 17.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.454 HD21 ' HB ' ' A' ' 70' ' ' THR . 18.5 mt -85.69 -40.96 15.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -122.09 165.91 15.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.04 111.85 21.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 41.4 t80 -97.17 172.21 7.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.39 116.67 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -43.17 134.22 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.631 HG13 ' HG3' ' A' ' 30' ' ' GLU . 7.1 p -107.16 -31.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.631 ' HG3' HG13 ' A' ' 29' ' ' VAL . 18.8 mt-10 -98.25 -168.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -101.63 36.0 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -175.94 48.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE2' HG12 ' A' ' 29' ' ' VAL . 14.5 mt-10 -121.0 176.41 5.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.496 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.46 135.76 39.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -116.32 109.13 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 7.7 p90 -149.68 170.63 18.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -113.05 -176.11 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -80.64 134.46 35.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.565 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.22 -50.44 0.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -47.58 140.56 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.325 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.855 HD11 ' HD3' ' A' ' 21' ' ' ARG . 48.6 mm -89.85 149.3 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.55 136.87 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.727 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.1 mp -93.24 107.68 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.86 126.62 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mt -101.38 -39.02 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.41 133.48 40.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.597 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -138.5 45.59 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.57 10.12 26.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.74 122.92 12.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.66 -16.92 59.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.524 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.1 m-80 -79.95 -48.05 14.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.524 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 54.0 m95 -126.5 143.48 51.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.597 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -127.88 132.72 49.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -96.3 115.15 26.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.81 178.97 20.22 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -134.39 147.05 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.496 HD21 HD22 ' A' ' 34' ' ' LEU . 35.0 p30 -145.44 169.32 18.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -38.52 -53.97 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.28 -51.26 46.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.076 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 159.07 -156.71 27.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.79 161.85 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 165.4 168.9 28.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.6 155.74 19.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 0.797 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.0 p90 -172.51 162.34 4.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.0 137.72 22.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.427 1.751 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 38.6 p -79.55 -13.58 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.95 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -81.25 3.1 25.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -101.4 -20.76 15.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 20' ' ' VAL . 28.7 m -110.29 -179.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 21' ' ' ARG . 3.3 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.451 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -117.21 -58.41 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 110.014 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -168.08 143.01 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.36 117.52 1.89 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -109.25 -56.36 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.974 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.82 80.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.055 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.34 -140.53 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 9' ' ' GLU . 10.7 t -150.56 179.28 8.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 110.031 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER 166.97 -30.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.5 pp -90.01 118.06 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -170.92 81.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.04 79.21 0.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 p30 179.92 101.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -83.21 122.46 28.43 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -154.34 135.6 14.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 m -85.9 117.01 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.96 161.29 38.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.68 104.22 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' CB ' HD11 ' A' ' 73' ' ' LEU . 13.0 mttm -87.79 153.42 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.1 m -150.91 145.25 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.784 ' HD3' HD11 ' A' ' 41' ' ' ILE . 2.6 ttp85 -103.1 122.89 45.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 129.12 39.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.147 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.622 HD11 ' HB ' ' A' ' 70' ' ' THR . 93.6 mt -90.64 -40.35 11.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -119.45 161.71 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.48 113.97 21.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 67.4 t80 -103.02 174.5 5.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 1.7 tt0 -164.49 116.03 1.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.34 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.96 137.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.63 HG12 ' OE2' ' A' ' 33' ' ' GLU . 5.0 p -111.79 -30.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -100.19 -169.7 1.77 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -100.59 30.32 4.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -170.38 51.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.63 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -125.34 175.4 7.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.301 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.97 131.3 45.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -111.65 113.3 25.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.3 p90 -153.6 169.06 24.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.59 -176.12 2.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -74.52 148.06 41.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.63 -46.4 3.46 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -46.44 141.98 3.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.784 HD11 ' HD3' ' A' ' 21' ' ' ARG . 49.1 mm -90.24 148.35 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.69 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -136.93 128.86 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.5 mp -92.6 107.8 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -74.28 121.89 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.85 -42.17 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.98 132.95 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -135.31 40.58 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -48.93 77.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.9 t0 -98.85 164.92 12.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.64 -25.55 13.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.7 OUTLIER -66.02 -52.55 48.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.514 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 47.8 m95 -119.55 140.62 50.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 108.008 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.5 OUTLIER -125.05 131.12 53.41 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -94.57 108.74 20.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.99 179.17 17.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 0.0 111.025 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 25.0 tt0 -134.25 150.33 51.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.789 . . . . 0.0 110.355 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.569 HD21 HD22 ' A' ' 34' ' ' LEU . 29.6 p30 -150.02 169.63 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -39.02 -52.63 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.603 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.0 -45.19 64.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 150.71 -155.68 26.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 3.1 mt -101.79 162.8 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.66 168.71 28.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.86 152.52 21.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 0.785 . . . . 0.0 109.332 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.561 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.8 p90 -170.69 164.74 5.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.561 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -75.05 141.37 26.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.567 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 34.7 p -82.74 -10.32 58.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -89.46 15.44 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.526 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -112.65 -14.92 13.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.45 177.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.622 ' HB ' HD11 ' A' ' 23' ' ' LEU . 5.3 t -136.3 129.29 31.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 57.4 p -71.84 62.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 178.85 86.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.638 HD22 HD12 ' A' ' 41' ' ' ILE . 21.5 mt -42.97 -55.41 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -162.3 136.77 6.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.84 100.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -97.61 124.84 42.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.3 m -64.85 -56.91 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.03 132.9 43.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.28 76.82 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.92 104.63 14.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -133.1 -61.13 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 82.8 t -68.01 -61.8 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.34 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.2 -58.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 176.91 -171.6 44.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -44.83 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.86 -58.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.7 t -165.05 156.81 15.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 p -137.7 154.39 49.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -163.56 136.64 5.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.63 170.46 29.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.461 1.1 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.35 104.16 6.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 0.782 . . . . 0.0 110.021 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -151.57 100.48 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.89 -147.93 23.4 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -175.67 157.43 2.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 0.738 . . . . 0.0 109.994 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.56 103.23 12.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.728 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.6 pp -118.58 122.95 70.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.59 76.46 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 69.6 100.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -128.02 161.11 29.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -130.15 102.5 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' CB ' ' HE2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -110.38 178.38 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 28.3 m -114.98 170.52 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 16' ' ' VAL . . . 67.41 178.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.87 108.95 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HE2' ' CB ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -87.86 151.64 22.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 42' ' ' ILE . 14.4 m -150.6 148.38 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.676 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.54 123.08 46.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 128.88 37.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.669 HD21 ' HB ' ' A' ' 70' ' ' THR . 91.2 mt -88.52 -39.96 13.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -123.6 165.57 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -86.68 112.0 21.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 109.253 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 44.1 t80 -102.89 175.91 5.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -167.72 106.58 0.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.54 135.67 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.8 -34.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.35 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.02 -172.52 4.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.37 29.35 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -172.09 55.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -129.88 174.35 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.66 135.23 40.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -115.93 110.04 18.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 11.7 p90 -148.94 168.53 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.79 -177.54 3.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -80.56 127.73 32.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.16 -48.06 0.98 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -44.81 142.78 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.719 HD12 HD22 ' A' ' 73' ' ' LEU . 47.4 mm -85.14 148.2 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -137.25 125.31 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 43' ' ' ILE . 4.1 mp -89.61 107.94 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -74.21 125.34 33.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.9 mt -95.5 -41.91 8.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -136.63 133.6 36.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.578 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.1 p-10 -130.91 29.74 4.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.36 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -49.36 71.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.4 m-20 -99.03 165.3 11.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.96 -38.19 7.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.516 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -51.8 -54.45 28.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.516 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 46.7 m95 -119.94 147.81 44.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.578 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -132.82 133.21 43.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 107.982 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -94.34 114.03 26.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.62 175.98 22.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 29.7 tt0 -133.99 151.35 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD22 ' A' ' 34' ' ' LEU . 29.7 p30 -148.8 169.37 20.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -38.77 -52.95 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.605 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -51.41 -52.91 41.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 160.66 -157.36 28.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.66 165.16 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 0.752 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.472 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 163.65 167.7 24.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.72 150.21 23.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 0.786 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.2 p90 -168.02 164.36 8.59 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.5 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.3 Cg_endo -74.99 137.07 21.27 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.464 1.77 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.525 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.5 p -75.78 -8.76 57.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -88.96 14.18 11.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.466 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.2 m-85 -116.81 4.46 12.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.8 m -133.16 175.17 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.669 ' HB ' HD21 ' A' ' 23' ' ' LEU . 7.4 t -136.34 134.44 37.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.6 p -69.47 61.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.411 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' THR . 2.2 t30 173.37 127.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.719 HD22 HD12 ' A' ' 41' ' ' ILE . 3.6 mt -88.59 55.49 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -178.13 135.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.7 mt 60.58 154.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -67.53 -52.24 41.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 t -177.45 144.99 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 79' ' ' ALA . 39.0 tt0 -157.0 159.08 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 78' ' ' GLU . . . -161.67 72.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.57 166.44 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -150.19 133.58 16.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.5 t -88.02 150.81 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.2 t -96.07 -57.44 2.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 151.93 154.83 6.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.86 42.49 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.457 1.767 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.7 p -128.34 162.55 26.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.2 m 60.25 162.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -152.54 100.36 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 110.003 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p 57.04 169.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.64 -174.13 35.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 -58.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -111.6 -58.45 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.2 99.16 0.94 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.5 t -92.33 161.65 14.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.72 128.59 23.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -57.86 146.74 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.23 60.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.62 -61.3 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -136.48 148.35 47.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -67.01 84.5 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -125.7 149.62 48.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.6 m -106.21 121.56 58.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.54 165.98 18.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -90.3 100.09 12.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.292 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' CB ' HD11 ' A' ' 73' ' ' LEU . 4.5 mttt -87.87 153.17 21.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 42' ' ' ILE . 19.0 m -148.97 146.78 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.783 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.28 124.17 48.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 129.16 39.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.666 HD11 ' HB ' ' A' ' 70' ' ' THR . 91.7 mt -92.52 -36.1 13.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -128.5 163.48 24.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -84.47 112.57 20.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 45.3 t80 -105.17 151.08 24.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.81 112.76 8.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -40.42 138.01 0.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.615 HG12 ' OE1' ' A' ' 33' ' ' GLU . 4.5 p -111.42 -31.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.75 -171.2 2.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.13 38.86 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 8.8 p-10 -177.99 46.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.615 ' OE1' HG12 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -119.62 172.22 7.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.507 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.27 135.38 39.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -117.4 108.52 15.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 6.4 p90 -146.56 168.32 21.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.97 -178.49 3.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -81.02 128.93 34.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.547 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.36 -47.85 1.0 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 111.064 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.581 ' OE1' ' CE1' ' A' ' 58' ' ' HIS . 3.7 mt-10 -44.01 146.84 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.912 HD12 HD22 ' A' ' 73' ' ' LEU . 43.2 mm -91.98 145.99 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.748 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.7 mp -136.44 127.73 42.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.239 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.658 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.14 109.27 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 49.9 t -73.12 121.82 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.07 -44.99 8.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -133.45 137.05 45.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -134.99 40.04 2.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.7 t -58.43 -51.47 69.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 5.9 t0 -98.98 164.23 12.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.08 -30.48 11.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.504 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -61.39 -53.0 62.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.504 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 46.3 m95 -116.94 145.14 43.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.557 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 1.0 OUTLIER -130.46 130.7 44.57 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -94.84 108.46 20.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.97 178.28 18.27 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 0.0 OUTLIER -134.28 146.03 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 0.804 . . . . 0.0 110.258 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.507 HD21 HD22 ' A' ' 34' ' ' LEU . 35.7 p30 -146.04 169.96 17.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.581 ' CE1' ' OE1' ' A' ' 40' ' ' GLU . 13.3 p-80 -38.4 -54.71 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.622 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 58' ' ' HIS . 1.2 mtt180 -50.87 -45.17 59.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.12 -155.16 25.99 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.77 164.23 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.33 166.21 23.93 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.51 151.22 22.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 0.727 . . . . 0.0 109.282 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -168.36 162.43 8.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.03 135.71 19.38 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.596 1.84 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.557 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.1 p -73.77 -6.29 46.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -89.54 8.1 32.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.2 m-85 -110.56 5.27 21.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.2 m -135.07 173.71 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.666 ' HB ' HD11 ' A' ' 23' ' ' LEU . 2.7 t -134.71 127.72 31.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 p -69.4 61.46 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.371 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' THR . 0.9 OUTLIER 177.65 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.912 HD22 HD12 ' A' ' 41' ' ' ILE . 38.0 mt -47.33 -53.39 13.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -113.59 102.53 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.48 104.58 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.91 147.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.085 . . . . 0.0 110.335 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 71.7 p -127.47 89.69 3.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.64 136.42 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.07 84.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.75 151.47 37.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.24 173.4 6.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.1 t -103.21 142.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.8 m -132.91 147.14 52.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.56 157.31 25.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 171.39 18.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.18 -57.02 1.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.66 -58.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 p -173.4 157.21 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.962 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.72 154.41 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.14 165.19 38.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.0 p -176.69 145.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.027 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.16 168.99 10.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.99 165.98 36.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 p -178.67 -59.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.777 . . . . 0.0 109.968 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 43.21 70.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 tt -66.58 146.8 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -167.48 158.25 11.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 pp -155.56 151.29 27.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -116.09 109.18 17.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -176.35 159.67 2.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.14 165.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.2 m -107.27 129.35 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.14 165.45 12.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.245 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 7.9 ttt180 -83.07 101.35 11.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.541 ' HB3' HD21 ' A' ' 73' ' ' LEU . 1.5 mttm -88.42 149.55 23.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 42' ' ' ILE . 24.3 m -148.5 149.66 14.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.67 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.01 126.8 52.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.329 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.62 126.0 26.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD11 ' HB ' ' A' ' 70' ' ' THR . 97.0 mt -87.44 -40.58 14.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -120.59 166.04 14.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -89.57 114.35 25.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.163 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 79.5 t80 -105.91 174.04 6.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 11.5 tt0 -162.58 114.32 1.59 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.08 135.24 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.737 HG12 ' OE2' ' A' ' 33' ' ' GLU . 5.5 p -109.02 -32.96 2.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -91.51 -173.28 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -94.83 14.7 20.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -156.86 58.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.737 ' OE2' HG12 ' A' ' 29' ' ' VAL . 1.5 mt-10 -130.21 173.39 10.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.522 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.55 134.14 41.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -115.73 109.35 17.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.371 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 7.3 p90 -148.35 170.23 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -116.97 -175.98 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -74.4 148.27 41.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.592 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 -46.68 3.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.3 mt-10 -44.07 142.35 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 1.017 HD12 HD22 ' A' ' 73' ' ' LEU . 42.5 mm -89.84 146.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.736 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -136.63 126.02 37.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.96 107.94 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 46.1 t -72.83 123.97 28.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.7 mt -97.31 -44.13 7.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.76 132.92 46.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.8 p-10 -132.77 33.03 3.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.64 -51.96 63.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.443 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.7 m-20 -98.87 167.13 10.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.93 -33.44 8.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.7 m-80 -57.16 -57.06 14.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.477 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 45.5 m95 -115.11 143.25 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.028 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.8 OUTLIER -127.31 133.05 50.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.0 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -97.02 106.75 19.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.75 174.96 20.25 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' CG ' HG13 ' A' ' 61' ' ' ILE . 3.4 tm-20 -130.46 148.69 52.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.746 . . . . 0.0 110.349 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.522 HD21 HD22 ' A' ' 34' ' ' LEU . 30.9 p30 -147.06 169.18 19.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.451 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 7.6 p80 -39.13 -52.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.649 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.411 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -51.13 -49.85 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.37 -157.62 28.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.64 163.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.452 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 163.95 168.68 26.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.46 157.08 18.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 0.775 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 12.9 p90 -174.32 163.77 2.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.465 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.6 Cg_endo -74.9 140.58 25.92 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.514 1.797 . . . . 0.0 111.065 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.559 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -79.3 -8.3 58.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.974 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.84 19.57 5.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.454 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -120.98 3.13 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.18 177.88 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 21' ' ' ARG . 2.9 t -137.76 130.59 30.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 65.5 p -69.1 62.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.398 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.3 t30 171.95 108.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.017 HD22 HD12 ' A' ' 41' ' ' ILE . 24.6 mt -64.29 80.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 72' ' ' ASN . 3.8 t-20 178.52 155.47 0.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.5 mt -94.13 111.77 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -101.0 129.0 46.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 77' ' ' THR . 1.3 t -173.82 119.61 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.45 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.14 159.87 6.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.56 -61.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.37 159.16 30.76 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 55.26 90.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.78 128.45 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 t -62.06 138.78 58.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.71 164.23 25.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.507 1.129 . . . . 0.0 111.025 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -50.27 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t 62.66 158.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.6 m -114.46 169.9 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.138 . . . . 0.0 110.059 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.58 93.99 4.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.0 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t 63.75 97.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.007 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.32 -71.5 0.66 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -92.04 146.6 23.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.11 134.91 6.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.44 174.44 40.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 t -163.15 166.12 23.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 110.01 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.61 141.02 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 mp -59.61 126.48 17.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -143.82 -57.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 45.22 80.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -169.52 129.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.44 100.43 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.66 166.79 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 m -101.19 125.81 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.12 170.96 7.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.6 OUTLIER -94.86 99.48 11.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HB2' HD11 ' A' ' 73' ' ' LEU . 1.1 mttt -87.89 154.34 20.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 42' ' ' ILE . 24.6 m -149.83 148.34 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.807 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.16 122.95 45.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.89 124.02 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 98.7 mt -82.53 -44.52 15.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 22.5 m-85 -121.26 165.82 14.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -85.29 118.24 24.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.614 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.2 t80 -104.37 175.66 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.518 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 38.9 tt0 -167.98 114.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.319 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' GLU . . . -40.02 134.44 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.556 HG12 ' OE1' ' A' ' 33' ' ' GLU . 7.2 p -109.48 -31.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.01 -168.42 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.16 45.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.1 t30 175.69 56.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.556 ' OE1' HG12 ' A' ' 29' ' ' VAL . 1.2 mt-10 -133.45 175.78 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.78 133.25 43.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -110.36 109.05 19.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.614 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.5 p90 -150.73 172.56 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -119.32 -175.91 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -74.81 149.65 39.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 109.595 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 86.7 -54.88 4.65 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.1 mt-10 -38.91 142.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 0.79 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 1.015 HD12 HD22 ' A' ' 73' ' ' LEU . 44.2 mm -91.55 147.17 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.0 mt -135.97 128.34 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.633 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -88.88 108.37 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' ARG . 44.1 t -73.0 126.05 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.38 -43.02 8.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.12 133.02 38.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.6 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 12.9 p-10 -129.75 46.54 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.41 -52.21 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -98.79 122.79 42.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.17 -29.65 66.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.542 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -59.32 -47.3 85.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.3 m95 -130.25 126.39 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 108.012 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.6 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -111.41 133.03 54.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 107.957 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -96.12 110.32 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.09 177.65 19.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -134.71 147.2 50.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.769 . . . . 0.0 110.311 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.518 HD21 HD22 ' A' ' 34' ' ' LEU . 31.6 p30 -144.49 169.24 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.452 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 8.7 p80 -38.39 -53.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.74 -51.08 53.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 158.76 -156.53 27.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.55 164.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 166.62 169.45 30.23 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -91.41 149.63 21.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.2 p90 -168.73 163.42 8.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -75.07 142.7 27.96 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.535 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.4 p -84.85 -3.18 58.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -91.47 12.11 21.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -109.61 -25.35 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 m -103.58 -179.51 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 21' ' ' ARG . 5.6 t -139.43 131.57 28.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.443 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.7 p -70.33 59.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' THR . 17.3 t30 178.12 99.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.015 HD22 HD12 ' A' ' 41' ' ' ILE . 48.4 mt -56.86 -54.13 49.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -157.2 150.0 23.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.7 mt -81.58 107.92 14.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.08 169.22 18.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.2 p -89.34 -57.64 2.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -172.05 -39.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 178.65 72.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.6 70.84 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -167.15 173.33 9.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 63.5 t -73.61 114.91 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.18 166.98 27.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.035 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.35 177.72 21.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.441 1.088 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.56 13.4 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.2 t 53.07 100.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 56.3 m -54.06 -58.5 7.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.433 1.083 . . . . 0.0 110.994 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 m -139.73 166.87 23.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 0.716 . . . . 0.0 110.056 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -130.27 161.34 31.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.984 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.11 -179.3 18.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -169.36 164.88 10.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.022 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 p -147.0 169.61 18.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.72 117.82 0.61 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -157.57 119.28 3.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.969 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -156.93 149.04 22.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.5 pt -115.32 175.51 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.23 164.77 34.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.76 98.34 2.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -91.18 131.22 36.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -82.77 -55.45 4.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.87 170.73 6.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.13 127.61 54.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.28 153.99 28.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.91 96.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.462 ' CB ' HD11 ' A' ' 73' ' ' LEU . 6.7 mttt -87.88 151.82 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.817 HG22 ' O ' ' A' ' 42' ' ' ILE . 30.2 m -146.04 149.59 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.609 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -105.47 125.16 50.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HA ' HG12 ' A' ' 69' ' ' VAL . . . -62.9 123.89 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.518 HD21 ' HB ' ' A' ' 70' ' ' THR . 83.7 mt -84.82 -42.23 15.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -120.84 166.57 13.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -87.0 111.83 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.598 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 21.5 t80 -99.5 177.34 5.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.9 tm-20 -172.84 100.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.83 136.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 p -107.4 -30.3 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -99.32 -176.54 3.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.231 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -97.61 48.18 1.02 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -179.63 45.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.7 OUTLIER -130.64 173.89 10.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.501 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.65 136.28 38.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -114.09 108.55 17.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.42 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.4 p90 -152.07 170.81 19.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -115.85 -176.14 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.86 149.49 41.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.554 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.01 -45.84 3.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.96 145.6 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.702 HD12 HD22 ' A' ' 73' ' ' LEU . 44.0 mm -92.88 145.81 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.817 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.5 mp -136.31 127.07 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.682 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.6 mp -92.52 108.94 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.02 121.03 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.16 -45.35 7.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.78 148.25 47.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 48' ' ' SER . 3.6 p-10 -136.83 28.09 2.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -39.1 -46.72 1.45 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.78 162.26 13.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.53 -23.61 15.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.68 -53.3 6.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -101.74 129.67 47.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 108.022 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 1.6 m0 -118.24 130.68 56.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.157 . . . . 0.0 108.031 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -95.1 107.83 19.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.43 178.48 18.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.564 ' OE1' HD11 ' A' ' 61' ' ' ILE . 18.6 tt0 -134.74 148.52 50.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.278 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.501 HD21 HD22 ' A' ' 34' ' ' LEU . 31.5 p30 -147.81 169.35 19.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.423 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 6.3 p80 -38.42 -52.93 1.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 1.5 mtt180 -52.29 -47.45 65.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 153.78 -156.43 26.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.564 HD11 ' OE1' ' A' ' 56' ' ' GLU . 2.8 mp -101.69 164.97 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.471 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 164.26 165.36 21.36 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.52 146.91 24.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 13.8 p90 -163.8 163.77 15.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.07 138.18 22.54 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 19.8 p -76.45 -7.14 54.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.77 14.01 14.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -115.34 -1.35 12.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 22' ' ' ALA . 34.2 m -130.59 178.95 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.518 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.3 t -140.96 130.54 24.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.9 p -72.19 58.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.41 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -177.2 88.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.702 HD22 HD12 ' A' ' 41' ' ' ILE . 23.9 mt -46.49 -55.36 7.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 169.19 104.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.9 mt -125.76 98.86 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 49.54 80.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.1 t -77.58 130.68 37.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.404 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -44.9 115.43 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -175.26 74.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.39 78.84 9.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -164.73 83.86 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 91.1 t -107.57 98.29 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.54 169.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -121.0 -81.89 0.66 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 107.53 2.5 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.7 m -88.24 115.52 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.007 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.1 t -177.49 163.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 p -159.53 -60.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.993 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t 63.11 163.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.954 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.47 -151.87 18.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m 59.24 110.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.748 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.92 172.46 12.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.68 143.02 11.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.483 1.114 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.9 p -179.96 143.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.017 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.31 110.83 21.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.511 ' C ' HD12 ' A' ' 10' ' ' ILE . 1.2 pp -102.13 -13.46 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -90.2 135.81 33.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.65 157.68 43.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -109.44 142.32 40.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -89.02 -57.76 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.76 162.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.5 m -102.68 127.67 56.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.52 161.13 35.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER -80.33 100.58 8.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.655 ' HB2' HD11 ' A' ' 73' ' ' LEU . 2.0 mtpt -87.82 156.4 19.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.9 m -151.25 147.16 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.821 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -102.98 124.03 47.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 124.84 21.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.609 HD11 ' HB ' ' A' ' 70' ' ' THR . 79.9 mt -88.14 -40.5 13.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -118.15 163.16 17.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.52 116.57 23.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.61 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 42.3 t80 -105.79 176.55 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' ALA . 4.0 tt0 -171.12 99.42 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB1' ' CB ' ' A' ' 33' ' ' GLU . . . -39.12 134.37 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -107.91 -34.19 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -82.66 -172.52 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -101.22 24.75 9.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -163.57 50.56 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' CB ' ' HB1' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -126.36 174.64 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.527 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.8 135.28 40.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -113.08 108.92 17.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.0 p90 -151.36 170.35 19.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -121.03 -179.01 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.96 149.76 47.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.12 -49.41 3.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -45.27 143.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 0.731 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.929 HD12 HD22 ' A' ' 73' ' ' LEU . 46.9 mm -93.43 147.94 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.694 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -136.41 127.94 43.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.671 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.7 mp -90.56 107.86 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 18' ' ' ARG . 57.4 t -74.49 124.49 32.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.06 -42.35 7.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.83 132.88 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.549 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -132.25 41.83 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -51.64 22.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -98.98 123.3 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.84 -27.12 64.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.517 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.8 OUTLIER -63.29 -50.53 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.517 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 51.3 m95 -124.28 127.39 47.58 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.1 OUTLIER -111.07 133.38 53.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 107.989 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -96.97 107.75 20.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.26 178.56 18.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 21.8 tt0 -133.96 149.55 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.737 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.527 HD21 HD22 ' A' ' 34' ' ' LEU . 33.9 p30 -147.9 169.47 19.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -38.74 -53.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.596 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -50.86 -48.19 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.7 -156.32 26.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.438 ' CG2' ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.66 163.48 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' CG2' ' A' ' 61' ' ' ILE . . . 165.77 168.35 27.79 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.66 151.46 22.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.7 p90 -170.54 164.96 5.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -74.96 141.37 26.67 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.573 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 51.8 p -83.16 -10.31 58.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.87 16.31 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.5 OUTLIER -113.13 -13.9 12.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.0 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.519 HG21 HG21 ' A' ' 20' ' ' VAL . 32.3 m -114.58 -179.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.609 ' HB ' HD11 ' A' ' 23' ' ' LEU . 9.2 t -138.13 135.45 35.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 55.0 p -74.36 57.1 0.68 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -177.08 96.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.929 HD22 HD12 ' A' ' 41' ' ' ILE . 49.3 mt -55.59 -45.54 77.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -155.51 138.47 15.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.7 mt -59.35 104.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -116.16 104.34 11.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.276 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.8 m -110.17 108.86 19.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -65.68 154.87 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.93 95.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.11 136.39 53.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.7 127.99 53.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 p -130.29 136.36 58.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.46 171.33 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.69 -176.09 9.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 174.75 12.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.8 t -156.06 105.6 2.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.6 p -52.59 134.39 35.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.6 -58.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.29 168.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.959 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.37 63.57 0.58 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.24 123.82 47.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.997 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -50.62 161.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.083 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.41 100.3 2.51 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.6 p -146.64 -58.44 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -70.25 109.64 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.6 mt -117.28 -69.08 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 62.86 101.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.162 . . . . 0.0 110.342 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tp -98.98 134.58 41.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -135.39 134.59 39.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.421 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 2.7 p30 -75.92 -45.17 36.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -65.38 159.7 23.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.0 m -110.44 121.38 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.64 162.4 30.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.66 101.44 6.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.34 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' CB ' HD11 ' A' ' 73' ' ' LEU . 11.2 mttm -87.99 150.28 23.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 42' ' ' ILE . 18.8 m -150.5 145.08 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.78 ' HD3' HD11 ' A' ' 41' ' ' ILE . 1.2 ttp180 -103.06 123.89 47.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.63 127.65 33.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.653 HD21 ' HB ' ' A' ' 70' ' ' THR . 96.9 mt -86.64 -42.67 13.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -119.59 168.9 10.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -88.83 115.27 26.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 74.6 t80 -106.43 173.03 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' N ' ' CG ' ' A' ' 26' ' ' PHE . 40.1 tt0 -162.23 121.18 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.07 134.07 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG12 ' OE2' ' A' ' 33' ' ' GLU . 7.5 p -109.27 -33.02 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -100.58 -168.14 1.54 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -105.13 45.9 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 t30 176.36 46.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.7 OUTLIER -124.73 175.34 7.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.509 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.85 132.9 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -112.28 109.81 19.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 7.1 p90 -148.99 172.14 15.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -121.94 -179.65 4.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -71.51 145.18 49.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.34 -41.43 3.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.551 ' CD ' ' HE2' ' A' ' 58' ' ' HIS . 2.0 mt-10 -50.89 142.93 10.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 0.763 . . . . 0.0 110.341 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.78 HD11 ' HD3' ' A' ' 21' ' ' ARG . 41.5 mm -91.76 144.86 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.585 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -136.47 129.63 46.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.2 mp -94.08 109.67 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.2 t -73.22 121.88 24.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.35 -30.49 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.45 134.6 19.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.593 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 3.6 p-10 -131.33 50.04 2.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -80.79 -51.32 8.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.092 . . . . 0.0 109.95 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -98.87 124.5 43.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.1 -21.89 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.57 1.169 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.542 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.3 OUTLIER -69.6 -40.24 76.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.542 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 57.6 m95 -135.31 126.97 29.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.006 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -113.14 133.04 55.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 108.015 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.03 110.13 22.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.99 178.18 18.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' CG ' HG13 ' A' ' 61' ' ' ILE . 1.7 tm-20 -134.24 146.51 50.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 0.742 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.509 HD21 HD22 ' A' ' 34' ' ' LEU . 31.6 p30 -143.39 169.44 17.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.551 ' HE2' ' CD ' ' A' ' 40' ' ' GLU . 8.4 p80 -37.93 -54.6 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 -50.53 -54.56 21.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.27 -156.28 27.99 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.475 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.64 165.13 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.749 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.475 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 164.83 167.88 26.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.547 1.154 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -89.39 150.94 22.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 109.36 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.2 p90 -168.94 162.96 7.86 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.06 141.05 26.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -78.25 -6.89 56.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -90.97 19.18 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.563 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -122.93 8.01 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -137.45 176.57 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.653 ' HB ' HD21 ' A' ' 23' ' ' LEU . 7.2 t -139.13 131.62 28.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.39 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -73.29 58.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -176.31 87.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.778 HD22 HD12 ' A' ' 41' ' ' ILE . 20.1 mt -46.51 -54.7 8.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.49 141.45 30.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.69 105.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 62.07 88.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.3 t -118.97 132.62 56.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.437 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.29 102.4 8.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.0 -61.28 0.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.98 143.45 39.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.96 144.15 51.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 82' ' ' VAL . 21.9 m -107.67 108.64 25.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 73.6 p -149.87 124.26 9.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 173.89 137.72 2.5 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 170.99 19.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.515 1.797 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.8 m -136.12 165.02 26.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 0.0 109.993 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 12.4 p -178.09 169.01 1.96 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.1 p -155.59 -58.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.72 169.97 9.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.052 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.5 -161.03 8.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 m -152.26 163.57 39.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -114.3 167.52 10.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.2 -155.37 7.95 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -135.12 169.36 17.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -115.22 90.03 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.3 tt -66.51 147.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -78.43 145.15 35.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.15 104.45 14.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -159.29 148.97 18.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -127.9 122.46 32.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -148.9 166.06 29.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.0 m -103.29 126.58 57.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.68 156.59 32.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 96.23 4.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.742 ' HB2' HD11 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -87.92 153.22 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 42' ' ' ILE . 24.8 m -147.14 152.16 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.741 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -105.85 123.14 47.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.17 122.94 15.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD21 ' HB ' ' A' ' 70' ' ' THR . 97.7 mt -84.21 -41.07 17.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -121.62 167.77 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.82 114.87 25.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.8 t80 -104.09 176.96 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 28' ' ' ALA . 19.4 tt0 -171.49 99.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.473 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.94 133.32 1.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 p -108.72 -34.77 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -83.87 -172.73 4.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -103.41 46.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 t30 174.66 47.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 1.2 mt-10 -126.32 175.24 7.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.49 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.86 135.6 40.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -113.21 109.06 18.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.626 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 12.5 p90 -150.51 167.59 26.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.28 -175.94 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -78.03 130.48 36.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 107.08 -56.32 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.423 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 5.5 mt-10 -38.22 140.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.773 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.951 HD12 HD22 ' A' ' 73' ' ' LEU . 45.8 mm -86.26 148.03 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.746 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mt -135.97 126.44 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -88.95 108.89 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.5 t -73.85 128.39 36.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.95 -42.17 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.5 132.96 39.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 37.4 p-10 -131.46 31.41 4.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -51.12 68.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.3 m-20 -98.98 166.1 11.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.15 -35.01 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.497 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -54.88 -53.97 48.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 48.7 m95 -119.5 146.47 45.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.5 OUTLIER -131.82 131.33 42.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 108.033 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -94.78 110.45 22.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -135.1 178.3 18.66 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.6 tm-20 -134.21 147.45 50.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.49 HD21 HD22 ' A' ' 34' ' ' LEU . 36.8 p30 -147.9 170.21 18.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 6.2 p80 -37.44 -55.79 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.634 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.49 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 0.1 OUTLIER -50.63 -46.29 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.98 -154.34 25.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.68 164.28 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.763 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 166.19 166.57 25.46 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.53 149.53 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.271 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.474 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 10.1 p90 -168.09 164.51 8.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.557 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.06 136.08 19.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.3 p -74.22 -10.76 59.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -86.78 10.78 14.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.557 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.0 OUTLIER -114.28 7.73 16.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.9 m -137.76 173.49 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 21' ' ' ARG . 4.9 t -136.06 137.04 40.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.451 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 30.3 p -68.23 64.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.629 ' O ' HD23 ' A' ' 73' ' ' LEU . 18.4 t-20 179.57 166.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.951 HD22 HD12 ' A' ' 41' ' ' ILE . 9.8 mt -131.14 -147.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -52.53 106.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 75' ' ' ILE . 4.6 mt -81.87 70.31 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.33 -49.05 5.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.7 p -55.08 139.19 42.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -130.15 168.56 16.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -175.65 108.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.51 121.91 28.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.84 -61.82 2.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.1 t -66.37 108.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.1 -59.14 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.69 153.12 25.03 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.493 1.121 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 121.94 6.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.429 1.752 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 t -61.9 167.99 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 57.7 p -93.76 -61.15 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t -173.48 80.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.38 79.1 8.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.57 173.94 19.84 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.465 1.103 . . . . 0.0 111.059 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -162.6 136.42 6.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 110.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -79.02 167.32 21.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.68 138.36 3.54 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.1 p -75.15 164.89 26.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.723 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 60.91 122.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.406 ' H ' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -116.85 165.94 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -84.32 151.48 24.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.15 134.63 34.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -53.08 142.74 19.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -64.01 93.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 148.15 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.6 m -112.11 125.82 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.78 174.49 8.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -95.29 99.7 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.479 ' CB ' HD11 ' A' ' 73' ' ' LEU . 3.9 mttt -87.82 150.58 23.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 42' ' ' ILE . 25.5 m -150.44 147.41 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.855 ' HD3' HD11 ' A' ' 41' ' ' ILE . 1.4 ttp85 -102.87 125.23 49.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.68 126.8 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.625 HD11 ' HB ' ' A' ' 70' ' ' THR . 91.9 mt -88.86 -41.41 12.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -117.87 162.91 17.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -85.29 113.82 21.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 35.0 t80 -102.62 169.89 8.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -162.58 112.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.47 138.03 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.492 HG12 ' OE2' ' A' ' 33' ' ' GLU . 4.7 p -111.69 -30.7 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -99.11 -167.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -103.39 34.64 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -172.77 47.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -122.62 174.13 7.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.88 134.25 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.085 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -113.37 109.32 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.408 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.619 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 8.9 p90 -149.63 170.75 17.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -121.82 177.87 5.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -68.86 145.6 53.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.541 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.03 -44.65 2.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -50.32 142.63 9.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 1.023 HD12 HD22 ' A' ' 73' ' ' LEU . 45.5 mm -93.18 146.04 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.64 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.0 mt -135.8 128.84 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.664 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.7 mp -90.08 107.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -73.31 126.4 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -100.15 -43.29 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.18 133.85 46.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 33.3 p-10 -133.54 47.4 2.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.64 -52.9 8.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.973 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.6 OUTLIER -98.87 122.22 41.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -28.63 67.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.523 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -60.7 -50.62 72.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.523 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.2 m95 -125.89 127.22 45.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 108.026 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -111.04 138.37 47.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -102.03 107.63 18.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -133.32 178.93 17.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -133.32 147.76 51.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD22 ' A' ' 34' ' ' LEU . 34.4 p30 -144.07 169.67 17.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -37.54 -55.39 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.611 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.2 mtt-85 -50.24 -54.93 17.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.56 -155.18 26.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.81 164.27 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.458 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 166.56 169.77 30.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -88.87 153.35 21.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 0.731 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.0 p90 -173.0 163.78 3.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.54 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.2 Cg_endo -74.99 141.83 27.16 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.476 1.777 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 51.7 p -82.61 -9.52 59.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -90.86 18.59 6.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -116.71 -8.19 11.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.96 176.41 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.625 ' HB ' HD11 ' A' ' 23' ' ' LEU . 6.0 t -137.13 129.47 29.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.409 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.7 p -71.09 60.74 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.415 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.409 ' OD1' HD12 ' A' ' 75' ' ' ILE . 3.0 t30 -178.6 91.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.023 HD22 HD12 ' A' ' 41' ' ' ILE . 33.3 mt -49.65 -54.98 15.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.8 t30 170.75 119.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.409 HD12 ' OD1' ' A' ' 72' ' ' ASN . 75.1 mt -127.18 110.3 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.234 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.57 -58.97 2.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.1 t -163.69 131.67 3.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.406 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 60.22 148.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.05 76.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -133.98 104.69 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 62.92 143.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.5 m -84.45 -36.91 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.2 t 60.88 153.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 97.84 -166.99 22.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 70.61 5.21 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.83 83.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.2 m -79.49 -56.19 4.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.028 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.55 124.59 36.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.56 83.9 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.44 112.43 1.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.57 144.72 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.054 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -150.75 93.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.57 95.18 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.03 -58.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.08 111.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.1 mt -134.12 85.56 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -177.29 162.16 1.9 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tp -164.59 105.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -172.37 135.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -106.3 104.31 13.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -142.1 174.62 10.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 m -106.36 130.26 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.89 166.87 32.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.85 99.71 12.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' CB ' HD11 ' A' ' 73' ' ' LEU . 3.4 mttt -88.33 148.38 24.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 42' ' ' ILE . 27.9 m -145.7 148.46 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.625 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.2 125.64 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.37 125.54 24.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.479 HD11 ' HB ' ' A' ' 70' ' ' THR . 88.5 mt -87.97 -40.07 14.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -120.45 163.83 17.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -85.59 112.06 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.615 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 23.9 t80 -99.72 177.05 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' ALA . 18.9 tt0 -171.23 100.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -39.08 136.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -113.45 -33.85 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -82.49 -172.75 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -99.78 33.58 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 32' ' ' ASN . 9.7 p-10 -176.04 50.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.518 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -123.04 175.35 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.529 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -100.9 136.0 41.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -114.7 107.83 15.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.615 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.7 p90 -151.04 170.43 19.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -117.0 -176.03 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -71.04 150.43 45.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.567 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 84.59 -50.6 4.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLY . 1.6 mt-10 -38.75 142.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 1.058 HD12 HD22 ' A' ' 73' ' ' LEU . 43.1 mm -91.04 146.49 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.122 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.733 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.6 mp -136.55 125.97 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.659 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.84 108.12 19.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -73.72 121.49 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -97.75 -45.35 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.56 133.93 47.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -133.96 39.68 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -52.52 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -98.86 140.12 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.4 -23.7 40.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.509 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -67.2 -53.1 33.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.509 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 44.7 m95 -116.55 144.95 43.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.023 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 66' ' ' SER . 0.5 OUTLIER -128.37 131.33 48.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 107.969 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -96.38 106.01 18.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.42 178.73 17.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' CG ' HG13 ' A' ' 61' ' ' ILE . 31.4 tt0 -132.21 151.96 51.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 0.782 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.529 HD21 HD22 ' A' ' 34' ' ' LEU . 36.0 p30 -151.93 169.83 21.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -38.05 -54.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.578 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -51.55 -45.97 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.15 -155.15 25.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.092 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.439 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.71 161.62 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 0.763 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 167.64 167.25 28.03 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -88.65 149.89 23.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 12.7 p90 -167.67 163.84 9.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.519 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.01 138.46 23.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.799 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -76.48 -9.06 58.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -91.74 22.2 4.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -122.27 3.16 9.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.3 m -133.1 179.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.479 ' HB ' HD11 ' A' ' 23' ' ' LEU . 3.7 t -137.9 131.08 30.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 82.0 p -69.04 61.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.415 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' ASN . 5.1 t-20 172.74 108.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.058 HD22 HD12 ' A' ' 41' ' ' ILE . 29.5 mt -63.86 79.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' ASN . 42.4 p-10 177.44 159.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.4 mt -89.56 108.64 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -44.02 134.31 4.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.38 131.45 29.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.64 144.1 56.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -171.44 93.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.24 140.37 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -147.45 107.39 4.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.87 -61.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.4 m -105.69 100.58 10.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 179.01 -169.41 40.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 70.88 5.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.88 172.88 12.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.11 161.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.012 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m 61.79 149.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 110.025 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.13 -58.53 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.22 137.87 6.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.8 p -124.47 -58.69 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.08 93.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 44.97 94.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.552 1.157 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.6 t -145.77 110.76 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 0.757 . . . . 0.0 110.039 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.77 87.22 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 mt -106.64 142.58 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.9 86.11 0.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.5 141.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 p-10 178.16 145.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -159.64 -56.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -71.63 165.29 24.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.9 m -105.26 129.06 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.82 162.19 41.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -87.15 102.25 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.725 ' HB2' HD11 ' A' ' 73' ' ' LEU . 6.1 mttt -87.86 155.75 19.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 42' ' ' ILE . 21.1 m -152.02 145.02 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.596 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -102.93 123.32 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.299 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.76 127.72 33.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.559 HD21 ' HB ' ' A' ' 70' ' ' THR . 89.3 mt -86.83 -40.02 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 20.1 m-85 -123.14 171.45 9.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.8 119.55 30.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 54.5 t80 -110.16 176.08 5.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.512 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -170.1 105.42 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.582 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.54 133.05 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.3 p -104.45 -29.96 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -98.24 -170.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -100.9 33.33 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -166.67 51.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.582 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 1.2 mt-10 -132.53 170.74 14.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.573 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.71 131.75 44.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 m -106.35 110.89 23.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.327 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.4 p90 -152.27 170.03 21.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -120.35 -177.78 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 39' ' ' GLY . 1.7 t-80 -68.79 146.91 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 87.34 -52.44 4.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.43 ' OE1' ' NE2' ' A' ' 58' ' ' HIS . 2.7 mt-10 -38.28 140.47 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 0.735 . . . . 0.0 110.251 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.745 HD12 HD22 ' A' ' 73' ' ' LEU . 45.9 mm -93.46 146.22 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.568 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -135.72 134.02 51.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.734 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.0 mp -94.14 107.87 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.93 121.29 27.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mt -91.21 -41.21 11.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.71 132.95 39.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.606 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 5.7 p-10 -132.39 51.85 2.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.77 -34.81 12.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -102.4 111.71 24.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.6 -27.9 68.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.537 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 2.2 m-80 -65.85 -48.94 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.537 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 51.8 m95 -129.69 127.58 40.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 107.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.606 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -109.91 133.99 52.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.013 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.7 tttt -95.55 114.61 26.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.51 179.16 19.4 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -137.38 147.21 45.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 0.751 . . . . 0.0 110.304 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.573 HD21 HD22 ' A' ' 34' ' ' LEU . 40.2 p30 -144.79 169.81 17.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.441 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 11.5 p80 -38.33 -54.54 1.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.576 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.441 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -51.51 -44.63 62.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 150.66 -154.25 25.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -101.76 163.05 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 169.95 165.68 27.71 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.597 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.34 142.65 27.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.0 p90 -162.59 163.49 17.96 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.594 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.4 Cg_endo -75.03 144.98 30.8 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.498 1.789 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.563 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 54.3 p -86.94 -4.14 59.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -92.62 15.74 13.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.568 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -113.53 -26.87 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 111.062 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.53 HG21 HG21 ' A' ' 20' ' ' VAL . 33.0 m -101.64 179.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.559 ' HB ' HD21 ' A' ' 23' ' ' LEU . 9.4 t -138.14 146.04 42.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.2 p -82.4 50.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.403 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -169.45 104.99 0.36 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.357 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.745 HD22 HD12 ' A' ' 41' ' ' ILE . 19.8 mt -68.62 -56.58 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -163.66 167.79 20.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 14.3 mm -81.77 88.19 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.46 -55.05 20.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.8 m 59.18 113.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 63.23 125.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -169.49 75.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.84 155.8 22.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -176.46 104.98 0.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.8 m -108.71 144.31 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.37 168.73 21.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -46.11 103.98 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 151.43 39.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.49 1.784 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.7 m -132.16 145.36 51.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 58.8 m 57.71 160.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -174.93 86.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 110.003 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t 70.54 147.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.4 123.03 0.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -166.13 124.59 1.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 p -143.4 161.07 39.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.72 137.66 8.96 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.8 t -173.02 118.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -177.4 126.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.336 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.96 90.07 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -129.89 124.81 34.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.79 -65.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -138.82 151.29 46.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.7 124.1 48.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 mtpt -142.06 -179.3 6.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.92 122.41 63.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.8 168.82 11.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -88.56 95.73 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.29 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.905 ' HB2' HD11 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -87.85 149.6 24.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.848 HG22 ' O ' ' A' ' 42' ' ' ILE . 20.4 m -141.24 150.56 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.634 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.53 123.55 47.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.24 122.93 18.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.631 HD11 ' HB ' ' A' ' 70' ' ' THR . 65.2 mt -84.96 -42.48 14.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -122.02 163.25 19.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -84.97 112.99 21.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.604 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.5 t80 -99.49 177.27 5.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.3 tt0 -169.95 101.21 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -39.17 132.94 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.25 -35.37 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -83.71 -172.75 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -100.83 35.59 2.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -175.17 50.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -125.66 174.04 8.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.469 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -99.09 137.29 37.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -112.75 109.91 19.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.604 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 8.7 p90 -154.05 171.18 19.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -119.19 -176.48 3.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.363 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.75 151.15 43.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.619 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 84.66 -55.76 5.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 39' ' ' GLY . 3.0 mt-10 -38.79 142.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 110.255 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.901 HD12 HD22 ' A' ' 73' ' ' LEU . 42.8 mm -92.63 148.74 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.848 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mp -136.05 124.04 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.542 HD12 ' N ' ' A' ' 43' ' ' ILE . 4.5 mp -84.43 110.14 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 51.5 t -76.75 121.87 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.31 -43.73 8.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.24 132.89 43.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 50.5 p-10 -131.91 27.23 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.0 t -48.51 -50.68 30.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.433 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 3.6 m-20 -99.74 167.08 10.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.05 -41.56 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.441 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.4 m-80 -48.07 -58.9 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.441 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 47.3 m95 -115.26 146.37 41.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.4 OUTLIER -129.08 138.75 52.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -103.16 107.17 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -132.57 179.08 17.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . 13.0 tt0 -133.64 147.95 51.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.469 HD21 HD22 ' A' ' 34' ' ' LEU . 34.4 p30 -148.24 170.18 18.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 5.3 p80 -37.6 -55.34 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.608 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.566 ' HG2' ' CE1' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -51.04 -46.17 61.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.2 -154.08 25.35 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 62' ' ' GLY . 3.0 mt -101.76 165.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.483 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.03 166.34 23.83 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -88.53 147.1 24.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.3 p90 -166.11 164.02 11.55 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.572 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.5 Cg_endo -74.94 137.42 21.83 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.455 1.766 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.562 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 37.2 p -80.57 -4.88 55.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -84.85 -14.75 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.5 m-85 -82.04 -28.1 32.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.955 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.3 m -101.43 178.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.631 ' HB ' HD11 ' A' ' 23' ' ' LEU . 3.6 t -140.09 128.23 22.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 110.421 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 81.7 p -69.11 62.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 70' ' ' THR . 1.7 t-20 177.18 92.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.905 HD11 ' HB2' ' A' ' 19' ' ' LYS . 56.4 mt -52.27 -49.35 64.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -166.9 152.25 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.1 mt -77.9 106.82 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.25 162.31 9.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.413 ' H ' HG23 ' A' ' 77' ' ' THR . 25.4 p -64.9 140.3 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -131.43 172.72 11.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -163.98 96.05 0.8 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.37 167.28 10.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -42.03 133.75 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.2 m -87.55 154.82 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.73 139.19 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.22 -161.76 2.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.09 28.51 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.539 1.81 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.01 164.3 12.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 t -80.41 164.74 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.952 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 p -154.19 124.97 7.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 110.019 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.8 152.78 19.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.54 163.93 10.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -148.84 -174.2 4.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.13 -60.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.16 -178.68 53.48 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.3 m -117.59 107.7 14.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.007 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.57 137.12 20.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 10' ' ' ILE . 5.4 mt 65.77 77.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.94 81.13 7.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -156.1 71.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.6 111.96 2.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -101.28 100.87 11.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.42 152.73 3.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.0 m -97.92 125.76 51.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.37 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.63 158.5 43.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -82.59 100.12 9.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.783 ' HB2' HD11 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -87.68 152.33 22.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 42' ' ' ILE . 19.0 m -147.03 146.93 18.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.678 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -102.96 122.92 45.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB2' ' CD1' ' A' ' 42' ' ' ILE . . . -61.19 128.79 38.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.586 HD21 ' HB ' ' A' ' 70' ' ' THR . 98.5 mt -87.2 -38.72 16.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -126.24 164.64 20.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -84.84 119.13 24.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.603 1.189 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.6 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 63.3 t80 -107.14 173.27 6.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 21.1 tt0 -162.43 107.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.29 130.76 2.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 p -104.63 -35.98 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -86.36 -172.76 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -101.23 36.91 1.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -177.81 54.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -128.17 176.35 7.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.495 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.74 133.47 43.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 m -111.95 111.52 22.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.436 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.6 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 13.3 p90 -150.86 170.21 19.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -114.25 -176.15 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.27 141.57 36.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.573 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 89.87 -32.55 4.79 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' ' CD ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -54.73 151.18 8.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 0.73 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.917 HD12 HD22 ' A' ' 73' ' ' LEU . 45.7 mm -93.72 147.84 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.8 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.8 mp -140.77 125.44 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -90.43 108.78 19.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.3 t -76.18 125.12 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mt -97.26 -32.61 11.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.79 133.5 22.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.593 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 4.5 p30 -132.6 38.7 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.61 -47.39 81.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 2.6 m-20 -98.96 161.98 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.78 -27.26 12.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.521 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -65.42 -49.56 68.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.521 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 50.0 m95 -123.68 144.14 49.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 108.051 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -130.63 133.13 45.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.988 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -95.62 108.84 21.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.23 178.83 18.09 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' CG ' HG13 ' A' ' 61' ' ' ILE . 23.8 tt0 -135.96 150.47 49.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.495 HD21 HD22 ' A' ' 34' ' ' LEU . 31.3 p30 -148.51 169.42 20.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . 11.5 p80 -38.34 -53.8 1.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.587 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' HG3' ' CE1' ' A' ' 58' ' ' HIS . 14.4 mtt-85 -51.0 -53.53 32.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 161.59 -156.92 28.53 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.472 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.8 mp -101.62 165.01 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.24 166.16 23.75 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.63 150.65 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.452 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.7 p90 -168.55 163.2 8.34 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.1 Cg_endo -74.97 137.14 21.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -76.04 -6.11 49.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.014 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.56 17.72 7.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -120.15 -1.82 10.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 m -127.28 174.86 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.586 ' HB ' HD21 ' A' ' 23' ' ' LEU . 7.7 t -135.47 132.56 37.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.0 p -73.53 57.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -177.12 94.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.917 HD22 HD12 ' A' ' 41' ' ' ILE . 51.7 mt -53.67 -55.04 29.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -166.52 154.33 9.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.7 pt -76.88 106.73 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -88.93 -59.29 2.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.9 m 62.68 113.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.12 137.37 48.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -170.23 -61.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.67 173.74 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.58 82.34 2.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 70.2 t 54.84 98.72 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m 49.87 89.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.034 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.65 -149.75 0.57 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 79.21 2.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.3 p -174.17 158.55 3.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.7 p -171.25 114.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p 42.5 82.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 p -89.85 171.97 9.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 109.952 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.7 -164.77 12.7 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.443 1.09 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.34 162.28 1.89 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.748 . . . . 0.0 110.02 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -170.62 154.29 4.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.56 -154.95 11.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 p 178.34 142.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.766 . . . . 0.0 109.989 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -174.42 150.72 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.7 tt -67.87 121.06 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -99.23 -58.33 1.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.12 109.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -156.37 156.07 33.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.63 -51.93 5.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.23 146.23 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.72 127.11 62.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.26 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.82 171.49 14.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.238 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -86.13 99.35 11.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.245 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HB2' HD11 ' A' ' 73' ' ' LEU . 1.4 mttt -88.44 145.0 26.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.695 ' CA ' HD21 ' A' ' 73' ' ' LEU . 18.1 m -141.86 147.66 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.751 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.37 122.93 45.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.235 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.77 128.95 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.451 HD21 ' HB ' ' A' ' 70' ' ' THR . 96.5 mt -87.78 -42.08 12.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.462 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 42.6 m-85 -118.59 170.18 9.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -88.05 126.65 35.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 46.8 t80 -117.84 176.66 5.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -171.13 117.33 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' CB ' ' OG1' ' A' ' 35' ' ' THR . . . -40.51 126.84 2.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.609 HG12 ' OE1' ' A' ' 33' ' ' GLU . 8.2 p -103.9 -32.82 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -102.29 -170.52 1.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -100.52 40.53 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.3 t30 -178.37 51.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.609 ' OE1' HG12 ' A' ' 29' ' ' VAL . 1.2 mt-10 -129.91 172.61 11.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.535 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.36 129.89 45.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.406 ' OG1' ' CB ' ' A' ' 28' ' ' ALA . 1.8 m -105.47 114.93 29.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.562 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.6 p90 -157.87 171.75 19.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.03 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -123.77 176.52 6.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -63.18 148.16 48.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.88 -47.91 3.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.103 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -43.32 141.89 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.769 HD12 HD22 ' A' ' 73' ' ' LEU . 41.4 mm -91.49 144.46 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.653 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.7 mp -135.87 126.71 43.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.639 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -89.59 108.9 19.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.47 121.21 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mt -93.23 -44.6 8.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -133.28 133.02 42.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.425 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 7.6 p-10 -130.74 37.06 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.63 -49.95 74.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 1.2 m-20 -98.69 165.7 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.3 -28.82 11.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.5 OUTLIER -64.83 -51.49 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.427 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 54.2 m95 -118.9 139.99 50.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.042 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -125.88 132.47 52.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -95.13 109.48 21.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.34 179.05 17.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -136.01 147.3 47.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.757 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.535 HD21 HD22 ' A' ' 34' ' ' LEU . 35.1 p30 -144.16 169.23 18.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -38.29 -52.52 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.471 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -51.56 -58.17 7.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.57 -157.49 29.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.48 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.92 153.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.429 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 177.36 166.74 34.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -88.58 151.58 22.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.3 p90 -169.39 162.77 7.34 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -74.98 136.91 21.07 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.528 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 30.4 p -76.96 -8.08 56.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.052 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -89.95 17.08 7.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -117.76 -1.7 11.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.962 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.451 HG21 HG21 ' A' ' 20' ' ' VAL . 35.0 m -127.83 176.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 21' ' ' ARG . 4.9 t -133.93 164.15 27.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.2 p -114.66 66.07 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.374 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -148.71 -47.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.769 HD22 HD12 ' A' ' 41' ' ' ILE . 69.7 mt 61.02 94.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 40.2 t30 65.57 117.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.4 mt -107.05 115.5 48.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -42.8 -51.69 5.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.6 m 51.44 98.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.41 90.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -157.35 73.36 0.72 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.15 139.85 53.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -123.75 168.44 12.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 82' ' ' VAL . 9.1 p -67.69 119.83 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.9 p -146.72 151.32 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 58.93 161.46 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 163.91 34.35 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.29 134.09 42.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.87 -62.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 p -179.26 144.5 0.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t 65.58 154.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.35 132.85 1.54 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.26 146.51 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -171.04 158.47 5.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.02 133.78 3.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.77 -58.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 0.721 . . . . 0.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.53 137.37 32.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.54 -59.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 62.52 104.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.256 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.91 136.88 48.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -165.47 150.95 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -67.51 125.66 26.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.9 146.1 22.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.8 m -104.46 127.84 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.12 165.83 13.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.06 104.44 12.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.585 ' CB ' HD11 ' A' ' 73' ' ' LEU . 5.9 mttt -87.85 148.23 24.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.874 HG22 ' O ' ' A' ' 42' ' ' ILE . 15.1 m -145.3 150.44 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.691 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -110.86 122.79 48.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.246 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.67 125.94 25.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.514 HD11 ' HB ' ' A' ' 70' ' ' THR . 97.2 mt -86.49 -42.79 13.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 36.6 m-85 -118.44 171.08 8.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 37' ' ' LYS . 3.0 p30 -89.2 121.15 31.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.4 t80 -112.85 175.89 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.468 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 2.9 mt-10 -170.45 114.3 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.53 134.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.414 HG12 ' OE2' ' A' ' 33' ' ' GLU . 7.5 p -108.31 -32.22 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -101.01 -171.25 1.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -100.65 46.28 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 t30 176.6 50.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' OE2' HG12 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -130.18 174.24 9.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.511 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.69 132.46 44.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -110.16 112.47 24.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.396 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 6.8 p90 -154.26 171.96 18.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -125.99 172.41 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 147.97 34.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.599 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' GLU . . . 89.13 -56.87 4.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' OE2' ' NE2' ' A' ' 58' ' ' HIS . 1.7 mt-10 -38.81 141.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 110.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.758 HD12 HD22 ' A' ' 73' ' ' LEU . 46.1 mm -92.27 146.93 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.874 ' O ' HG22 ' A' ' 20' ' ' VAL . 3.0 mt -135.97 130.51 48.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.5 mp -92.07 107.88 19.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.3 t -73.15 122.16 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mt -93.38 -42.43 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.075 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.81 135.17 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.582 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 32.7 p-10 -131.24 46.47 2.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 t -77.32 -53.95 7.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.985 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 52' ' ' TRP . 2.0 t70 -98.99 123.85 43.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.59 -28.54 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.541 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -60.23 -49.08 79.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.541 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 49.4 m95 -127.65 126.46 42.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 108.011 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.582 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -111.86 133.05 54.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 107.959 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -94.83 112.67 24.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.31 179.08 19.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.451 1.095 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 26.9 tt0 -135.27 150.69 50.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.511 HD21 HD22 ' A' ' 34' ' ' LEU . 32.8 p30 -146.56 169.5 18.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 57' ' ' ASN . 6.1 p80 -37.54 -54.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.601 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 37.8 mtt-85 -50.83 -54.02 27.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.13 -155.14 26.32 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.9 mp -101.79 165.24 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.568 0.805 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.48 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 165.93 167.94 27.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.502 1.126 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.84 147.61 24.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.0 p90 -166.3 163.54 11.56 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.57 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -75.0 139.44 24.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 52.0 p -79.24 -8.4 59.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.58 21.12 4.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.6 OUTLIER -121.67 -3.49 9.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.04 175.02 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.514 ' HB ' HD11 ' A' ' 23' ' ' LEU . 6.7 t -137.27 153.18 50.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 110.423 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.5 p -101.69 56.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.37 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -129.12 -53.85 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.758 HD22 HD12 ' A' ' 41' ' ' ILE . 45.0 mt 62.67 136.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -171.37 108.23 0.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.9 pt -88.17 102.67 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.66 100.35 5.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -164.98 126.85 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 0.3 OUTLIER -177.68 158.7 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 78' ' ' GLU . . . 178.57 93.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.462 ' HB1' ' OG ' ' A' ' 83' ' ' SER . . . -125.17 -55.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 52.5 92.71 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.6 t 61.79 95.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.462 ' OG ' ' HB1' ' A' ' 80' ' ' ALA . 10.5 p -175.86 137.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.68 76.76 0.28 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 156.52 43.14 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.5 m -103.29 134.99 45.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.956 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -175.26 116.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -171.25 87.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 p -113.18 -59.48 2.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.39 -133.77 1.85 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -136.85 86.82 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.99 84.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.34 91.67 0.84 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.7 p -171.49 165.21 6.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -62.56 157.3 20.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.1 pt -45.25 158.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.12 -61.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.84 129.26 38.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -143.0 166.15 25.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -102.35 158.76 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.7 121.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.6 m -97.59 117.83 43.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.49 163.01 25.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 44' ' ' VAL . 5.2 ttm180 -79.91 100.04 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' CB ' HD11 ' A' ' 73' ' ' LEU . 4.0 mttm -87.86 149.63 24.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.756 HG22 ' O ' ' A' ' 42' ' ' ILE . 17.9 m -147.99 146.23 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.861 ' HD3' HD11 ' A' ' 41' ' ' ILE . 3.4 ttp85 -103.52 123.46 46.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.83 125.92 25.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.3 mt -86.03 -41.39 14.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -120.99 172.19 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -89.7 129.15 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . 54.5 t80 -122.33 171.63 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.548 ' N ' ' CD1' ' A' ' 26' ' ' PHE . 26.9 tt0 -162.91 117.09 1.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.259 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -47.15 122.71 4.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG12 ' OE1' ' A' ' 33' ' ' GLU . 14.5 p -92.28 -35.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -93.16 -172.88 3.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.9 24.51 6.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.23 56.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.476 ' OE1' HG12 ' A' ' 29' ' ' VAL . 1.3 mt-10 -132.58 174.38 10.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.505 HD22 HD21 ' A' ' 57' ' ' ASN . 0.0 OUTLIER -102.12 130.37 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.564 HG22 ' CD ' ' A' ' 59' ' ' ARG . 1.0 OUTLIER -109.42 118.33 36.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 26' ' ' PHE . 12.3 p90 -155.43 171.77 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -123.57 177.72 5.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -65.88 147.95 52.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.46 -47.52 3.75 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -45.58 142.98 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.994 HD12 HD22 ' A' ' 73' ' ' LEU . 47.6 mm -94.71 147.72 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.756 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.7 mp -136.45 126.53 40.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.654 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.8 mp -90.41 107.89 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' ARG . 47.2 t -72.94 125.41 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -97.74 -43.53 7.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.47 134.47 41.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 2.5 p-10 -129.48 28.09 5.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.5 -51.76 11.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.15 166.13 11.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.02 -28.69 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -53.54 31.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 59.1 m95 -113.91 137.01 52.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.554 ' CE3' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -124.39 132.46 53.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -97.07 106.27 18.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -131.89 176.5 19.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.469 1.105 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -130.27 147.18 51.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.505 HD21 HD22 ' A' ' 34' ' ' LEU . 37.7 p30 -146.87 169.59 18.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' ASN . 1.1 t-80 -37.26 -55.47 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.612 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.564 ' CD ' HG22 ' A' ' 35' ' ' THR . 3.4 mtt-85 -50.4 -49.22 55.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.331 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 156.24 -154.37 25.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.48 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mp -102.19 162.09 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.428 0.722 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 167.85 171.45 33.82 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -92.51 152.98 19.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 9.6 p90 -172.31 163.37 4.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.3 Cg_endo -74.95 137.35 21.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.554 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 25.2 p -77.78 -8.26 57.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -87.49 11.04 15.76 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.562 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.8 OUTLIER -112.58 -4.36 14.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 20' ' ' VAL . 35.1 m -125.3 175.11 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 21' ' ' ARG . 4.8 t -134.36 131.34 38.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.385 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.3 p -71.91 62.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.397 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 174.46 98.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.994 HD22 HD12 ' A' ' 41' ' ' ILE . 30.8 mt -56.77 -54.05 50.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -177.09 155.5 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.3 mm -106.16 117.88 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -89.59 116.03 27.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 68.6 p -53.18 109.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.372 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.59 59.88 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.37 71.35 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.23 78.78 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 62.21 149.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.7 p -81.33 143.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.7 p -88.12 151.62 22.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.14 160.76 2.37 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.82 38.58 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 t -76.13 -59.38 2.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.6 p -129.15 138.96 52.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.961 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.933 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -173.31 166.9 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.89 162.27 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.94 -161.18 9.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -176.23 151.09 0.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 110.011 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.0 p -177.41 165.06 2.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.99 -172.58 23.63 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.05 109.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.761 . . . . 0.0 110.0 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.18 83.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 pt -110.92 150.28 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.69 149.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tp -101.48 -63.03 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -103.3 98.28 8.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -163.88 -55.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -142.61 106.7 4.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 m -98.02 122.94 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.01 155.35 33.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.64 98.76 4.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' CB ' HD11 ' A' ' 73' ' ' LEU . 11.8 mttt -88.01 157.12 18.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 42' ' ' ILE . 17.8 m -153.54 146.29 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.808 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -103.57 122.97 46.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.5 127.93 34.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.648 HD21 ' HB ' ' A' ' 70' ' ' THR . 96.9 mt -88.32 -42.75 12.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -120.56 166.69 13.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -86.29 112.4 21.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.622 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 28.9 t80 -101.07 177.22 5.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' ALA . 14.3 tt0 -171.77 102.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.551 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -38.94 134.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -110.96 -33.72 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.58 -172.63 4.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -99.7 34.42 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -175.02 54.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.551 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -128.83 173.4 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.463 HD22 HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -98.94 135.97 39.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.25 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.718 HG22 HH11 ' A' ' 59' ' ' ARG . 4.2 m -111.03 114.49 27.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.378 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 10.0 p90 -158.79 171.36 20.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.988 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -119.65 -176.18 3.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -75.05 145.64 42.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.596 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.33 -44.0 2.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -48.7 142.48 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.851 HD12 HD22 ' A' ' 73' ' ' LEU . 41.1 mm -90.53 146.65 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.678 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.8 mp -136.81 131.47 47.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.727 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.2 mp -93.42 109.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.32 126.67 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -98.5 -37.92 9.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.12 135.9 36.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.591 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 3.8 p30 -134.39 47.73 2.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -79.59 -50.12 11.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.84 123.53 43.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.71 -25.71 62.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.551 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 0.4 OUTLIER -64.62 -44.97 88.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.551 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.4 m95 -131.41 127.09 36.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 107.988 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -112.11 133.21 54.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 107.947 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -95.11 113.62 25.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -140.73 178.08 20.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.4 tm-20 -136.89 147.86 46.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.463 HD21 HD22 ' A' ' 34' ' ' LEU . 33.4 p30 -145.71 169.31 18.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' ASN . 4.2 p80 -38.98 -53.29 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.559 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.718 HH11 HG22 ' A' ' 35' ' ' THR . 20.4 mtt180 -51.61 -45.18 63.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 151.27 -156.81 26.87 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.7 mp -101.56 165.78 2.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.497 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 164.7 165.37 21.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -88.59 143.21 27.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 10.8 p90 -161.3 163.2 20.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.53 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.2 Cg_endo -75.01 141.59 26.78 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.556 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -79.51 -3.81 48.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -93.79 19.05 9.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.53 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -120.56 -1.64 10.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.99 174.89 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.648 ' HB ' HD21 ' A' ' 23' ' ' LEU . 5.8 t -136.73 133.88 36.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.5 p -73.25 58.15 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.415 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -177.93 98.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.851 HD22 HD12 ' A' ' 41' ' ' ILE . 28.3 mt -57.25 -56.31 23.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -151.59 143.7 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.23 103.51 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -135.23 139.67 44.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.6 t -90.79 153.28 20.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -120.15 103.92 9.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.97 65.81 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.4 173.35 6.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.18 121.82 15.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.69 154.56 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m 61.62 146.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -143.56 -162.19 9.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -48.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.555 1.819 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.9 m -42.92 138.45 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.8 p 178.46 170.24 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.435 1.084 . . . . 0.0 111.024 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.14 85.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 m -139.31 -58.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.27 163.1 50.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.63 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 p -92.71 138.84 31.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.71 169.57 34.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.71 114.63 28.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.025 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.72 81.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.6 mt 63.54 137.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -143.25 90.9 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.42 162.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 60.89 114.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -74.55 124.51 26.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -153.33 131.16 11.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.354 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.2 m -112.4 174.48 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.84 172.4 9.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.68 107.52 19.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.677 ' HB2' HD11 ' A' ' 73' ' ' LEU . 5.4 mttt -87.8 146.1 25.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.837 HG22 ' O ' ' A' ' 42' ' ' ILE . 16.0 m -143.31 147.63 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.782 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -105.11 125.14 50.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.55 126.99 29.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.1 mt -86.51 -42.03 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -121.23 170.24 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.87 115.26 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.616 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 56.3 t80 -103.64 175.49 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.52 ' N ' ' CD2' ' A' ' 26' ' ' PHE . 44.6 tt0 -166.95 102.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -41.07 129.46 2.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.8 p -96.54 -33.25 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -90.69 -172.88 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.342 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.75 15.67 26.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -148.74 41.43 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.608 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 9.5 mt-10 -119.87 171.38 8.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD22 HD21 ' A' ' 57' ' ' ASN . 0.0 OUTLIER -98.92 129.16 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -111.72 120.74 43.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.379 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.616 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 11.7 p90 -155.98 169.08 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -178.59 3.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -80.29 131.17 35.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.25 -49.73 0.86 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -42.78 146.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 110.32 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.782 HD11 ' HD3' ' A' ' 21' ' ' ARG . 47.7 mm -91.48 146.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.837 ' O ' HG22 ' A' ' 20' ' ' VAL . 2.9 mt -136.04 127.99 44.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.628 HD12 ' N ' ' A' ' 43' ' ' ILE . 4.0 mp -89.56 107.98 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 49.5 t -72.97 125.68 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -99.39 -39.08 8.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.42 136.57 43.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.584 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 19.6 p-10 -135.05 45.63 2.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -51.73 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.74 123.92 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.66 -25.92 64.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.479 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.2 m-80 -66.21 -52.22 50.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.479 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 52.1 m95 -121.16 128.44 52.5 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.584 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -113.58 137.46 51.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 108.06 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -99.76 108.06 20.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -134.9 179.25 17.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' CG ' HG13 ' A' ' 61' ' ' ILE . 4.7 tm-20 -133.4 148.9 51.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 0.776 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.526 HD21 HD22 ' A' ' 34' ' ' LEU . 28.9 p30 -144.86 169.51 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -38.36 -53.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.573 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.524 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 33.3 mtt-85 -51.56 -54.97 21.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.86 -156.44 28.28 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 62' ' ' GLY . 2.8 mp -101.64 165.39 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 61' ' ' ILE . . . 166.13 178.98 39.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.555 HD22 ' N ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -98.26 150.57 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.571 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 8.5 p90 -170.34 163.81 5.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.571 ' O ' ' CD2' ' A' ' 64' ' ' PHE . 18.5 Cg_endo -74.93 143.55 29.44 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.564 ' HB3' ' CE3' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -82.21 -11.17 58.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 110.033 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.1 8.15 19.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 1.1 m-85 -110.21 3.35 19.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.1 m -134.07 173.48 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 21' ' ' ARG . 2.4 t -137.67 141.86 41.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.8 p -92.73 75.01 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 110.396 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 74' ' ' ASN . 1.4 m-20 -155.42 -51.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.7 HD22 HD12 ' A' ' 41' ' ' ILE . 20.6 mt 67.97 -70.29 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 72' ' ' ASN . 0.8 OUTLIER 63.33 157.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.5 mm 53.26 93.16 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -174.88 -52.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.274 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.7 m -119.4 111.4 18.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.27 146.34 47.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.8 -64.59 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 59.47 91.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -123.67 93.59 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.338 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.3 p -87.49 143.22 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.85 -55.29 3.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -157.02 -177.56 30.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.53 ' O ' ' CB ' ' A' ' 86' ' ' SER . 18.2 Cg_endo -75.01 -69.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 85' ' ' PRO . 1.6 p 87.7 -41.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m 64.22 -174.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.501 1.125 . . . . 0.0 110.956 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m 60.64 92.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -142.16 116.72 9.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.06 -160.45 8.56 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 p -109.31 159.65 16.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 0.77 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -139.3 140.49 37.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.97 -166.35 27.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -61.2 102.7 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.28 139.34 24.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.4 tt -66.19 149.83 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -99.58 80.43 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 mt -68.81 -62.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -128.61 165.82 20.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -139.82 -56.89 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.9 135.8 1.61 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.8 m -101.73 126.96 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.4 177.17 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.52 101.83 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.35 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.686 ' CB ' HD11 ' A' ' 73' ' ' LEU . 9.4 mtmt -88.11 147.57 24.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 69' ' ' VAL . 13.6 m -143.49 149.57 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.855 ' HD3' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -103.07 122.82 45.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.17 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.79 122.76 17.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.454 HD21 ' HB ' ' A' ' 70' ' ' THR . 18.5 mt -85.69 -40.96 15.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -122.09 165.91 15.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -87.04 111.85 21.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.611 ' CB ' ' CE1' ' A' ' 36' ' ' PHE . 41.4 t80 -97.17 172.21 7.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.39 116.67 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 33' ' ' GLU . . . -43.17 134.22 3.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.631 HG13 ' HG3' ' A' ' 30' ' ' GLU . 7.1 p -107.16 -31.64 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.631 ' HG3' HG13 ' A' ' 29' ' ' VAL . 18.8 mt-10 -98.25 -168.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -101.63 36.0 2.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -175.94 48.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.345 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.534 ' OE2' HG12 ' A' ' 29' ' ' VAL . 14.5 mt-10 -121.0 176.41 5.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.496 HD22 HD21 ' A' ' 57' ' ' ASN . 0.2 OUTLIER -98.46 135.76 39.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 m -116.32 109.13 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.611 ' CE1' ' CB ' ' A' ' 26' ' ' PHE . 7.7 p90 -149.68 170.63 18.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -113.05 -176.11 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -80.64 134.46 35.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.565 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.22 -50.44 0.83 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -47.58 140.56 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.325 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.914 HD12 ' CD2' ' A' ' 73' ' ' LEU . 48.6 mm -89.85 149.3 4.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.55 136.87 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.727 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.1 mp -93.24 107.68 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.7 t -74.86 126.62 35.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 mt -101.38 -39.02 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.41 133.48 40.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.597 ' HA ' ' CD1' ' A' ' 53' ' ' TRP . 0.2 OUTLIER -138.5 45.59 2.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.57 10.12 26.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.74 122.92 12.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.66 -16.92 59.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.524 ' HB3' ' CD1' ' A' ' 52' ' ' TRP . 1.1 m-80 -79.95 -48.05 14.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.524 ' CD1' ' HB3' ' A' ' 51' ' ' ASN . 54.0 m95 -126.5 143.48 51.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.597 ' CD1' ' HA ' ' A' ' 47' ' ' ASP . 0.1 OUTLIER -127.88 132.72 49.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 108.027 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -96.3 115.15 26.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.81 178.97 20.22 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' CG ' HG13 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -134.39 147.05 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.496 HD21 HD22 ' A' ' 34' ' ' LEU . 35.0 p30 -145.44 169.32 18.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASN . 0.9 OUTLIER -38.52 -53.97 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.639 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.28 -51.26 46.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.422 1.076 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 159.07 -156.71 27.79 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.473 HG13 ' CG ' ' A' ' 56' ' ' GLU . 2.9 mt -101.79 161.85 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.441 ' N ' ' HG ' ' A' ' 34' ' ' LEU . . . 165.4 168.9 28.28 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -88.6 155.74 19.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 0.797 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' A' ' 65' ' ' PRO . 11.0 p90 -172.51 162.34 4.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.471 ' HG2' ' CD1' ' A' ' 68' ' ' PHE . 18.4 Cg_endo -75.0 137.72 22.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.427 1.751 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.568 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 38.6 p -79.55 -13.58 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.95 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -81.25 3.1 25.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 65' ' ' PRO . 0.7 OUTLIER -101.4 -20.76 15.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.533 HG21 HG21 ' A' ' 20' ' ' VAL . 28.7 m -110.29 -179.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 21' ' ' ARG . 3.3 t -140.49 152.18 45.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 110.451 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 74.8 p -100.6 78.56 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -159.96 -52.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.914 ' CD2' HD12 ' A' ' 41' ' ' ILE . 22.3 mt 68.6 138.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -41.82 105.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.0 mm 53.2 100.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.83 152.09 24.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 43.0 m 63.2 102.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.373 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.77 98.66 9.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -163.26 -62.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 56.65 81.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -137.08 -61.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 87.8 t 57.49 97.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -73.9 -56.9 4.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.61 -165.47 21.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 58.55 4.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 41.3 t -65.45 156.68 31.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.8 t 63.34 153.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 0 0 . 1 stop_ save_