data_1awe_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 1awe _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.493 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' N ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -101.32 43.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -177.04 21.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.605 ' CG2' ' HB3' ' A' ' 90' ' ' LEU . 2.0 pp -123.18 -130.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HB3' ' CD1' ' A' ' 90' ' ' LEU . 1.3 t0 -165.78 -88.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.558 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -99.6 13.16 61.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.637 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 17.5 t-105 . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.638 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 42.2 p90 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.491 0.186 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 4.2 mt -54.98 -56.11 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.465 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -125.6 127.6 46.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.67 115.21 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.49 163.09 36.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.407 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -116.37 122.43 44.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.406 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.699 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 3.4 mp -113.93 145.23 41.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -97.82 140.48 32.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 2.1 ttm-85 -93.22 102.19 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.558 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 3.1 t -78.05 70.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -148.5 7.05 0.94 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 54' ' ' GLY . . . 160.58 40.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? 44.32 74.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -138.97 144.43 38.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.579 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 73' ' ' SER . 7.1 pt-20 -127.19 158.41 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.442 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 2.4 ptm180 -162.16 139.26 8.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.7 OUTLIER -81.25 97.59 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.555 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.502 ' CG1' HD11 ' A' ' 50' ' ' LEU . 50.5 mm -67.82 148.67 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.44 ' O ' ' CG2' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -158.03 85.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.505 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -72.15 114.45 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.64 ' CZ ' HG22 ' A' ' 69' ' ' ILE . 12.8 m-30 -91.45 151.68 20.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' CA ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -63.22 -1.95 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -111.15 -34.03 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -173.87 179.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.522 ' CB ' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -100.71 131.35 46.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.64 HG22 ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -129.62 119.3 47.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 91' ' ' LYS . 10.6 m -105.29 114.49 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 108.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 69' ' ' ILE . 8.8 m -86.6 102.29 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 108.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.442 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -57.57 149.97 20.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.624 ' OG ' ' CD2' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -153.73 110.77 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -41.94 -28.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.624 ' CD2' ' OG ' ' A' ' 73' ' ' SER . 13.5 m-85 -95.71 -164.93 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -153.16 110.55 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.605 ' HB3' ' CG2' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.86 125.21 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -112.86 124.94 53.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -60.13 122.43 14.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.714 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -145.08 74.39 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -89.27 77.74 7.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.729 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 2.2 p90 -140.55 -19.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.686 ' HA ' ' CG1' ' A' ' 99' ' ' VAL . 2.0 mmt -39.57 -28.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' PHE . 1.2 ttt180 -59.99 -9.99 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' PHE . 19.4 tttt -173.87 84.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.686 ' CG1' ' HA ' ' A' ' 96' ' ' MET . 5.9 m -98.13 -176.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -166.24 79.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -74.8 143.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.3 m-20 -141.81 89.68 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.637 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 12.2 p-10 -60.08 80.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 102' ' ' ASN . 12.7 tttm -100.63 80.06 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 5.9 t70 -142.61 178.21 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.792 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.5 OUTLIER -147.22 15.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.647 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 13.69 -74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.792 ' N ' ' O ' ' A' ' 106' ' ' ASP . 4.7 m-20 -32.35 -31.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.5 tt0 -113.32 -29.73 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.603 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.6 m-30 -107.85 -168.77 1.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -91.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.444 ' O ' ' OG ' ' A' ' 127' ' ' SER . 1.7 t-80 -175.38 76.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 126' ' ' PHE . . . -159.0 157.22 30.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.637 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -141.23 176.84 8.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -95.21 133.18 39.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.564 HG13 ' CG ' ' A' ' 126' ' ' PHE . 0.7 OUTLIER -116.17 116.66 53.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 100' ' ' GLN . 18.4 mt -102.15 89.46 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.729 ' CD2' ' CE2' ' A' ' 95' ' ' PHE . 4.5 pp -89.68 163.68 15.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.6 -175.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.4 t0 59.82 14.47 4.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 49.78 79.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.06 126.95 9.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -102.44 141.19 35.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.23 179.07 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 51.9 mt -139.75 81.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.677 ' CD2' ' CD2' ' A' ' 50' ' ' LEU . 12.7 m-30 -73.13 157.69 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -139.23 104.61 5.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.95 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.757 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -105.03 160.3 15.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -132.17 7.42 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 133' ' ' GLU . 1.6 m -120.99 110.83 16.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -41.96 -36.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -45.69 56.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.681 ' O ' ' N ' ' A' ' 137' ' ' TRP . 35.6 mm-40 -59.15 -43.76 92.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -58.27 -40.1 80.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 4.1 t-20 -77.74 -40.55 40.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.23 -18.13 59.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.757 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 35.4 m0 -78.18 -44.43 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.2 OUTLIER -84.17 -33.93 24.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -65.12 -43.9 90.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.91 91.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.515 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -66.24 -45.93 78.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.558 HG21 ' CE1' ' A' ' 146' ' ' TYR . 14.5 mm -66.3 -17.94 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.8 t -68.36 -51.97 38.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 147' ' ' ARG . 1.4 mt -71.67 -58.22 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -44.94 -25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.558 ' CE1' HG21 ' A' ' 142' ' ' ILE . 0.6 OUTLIER -73.36 -28.22 61.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.3 ttp85 -82.38 7.6 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.52 32.9 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.97 -36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.484 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 56.7 mt-30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -91.21 8.61 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.649 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 7.6 m-20 -127.89 -27.98 2.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 30' ' ' ASP . 2.5 pp -57.41 -150.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.542 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -160.68 -44.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.557 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -131.19 44.41 1.21 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.557 ' C ' ' O ' ' A' ' 31' ' ' GLY . 66.5 t-105 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.5 p90 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.478 0.18 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.425 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 1.1 mm -39.59 -51.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.478 ' O ' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -139.32 138.76 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 1.2 pm0 -123.57 121.3 35.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -172.65 166.51 39.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.32 119.83 35.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.747 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 3.8 mp -109.52 139.04 45.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -89.8 143.66 26.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 10.8 ttt85 -94.88 99.27 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.688 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.4 t -82.61 75.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -164.57 24.71 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.624 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 162.49 -25.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 16.7 ttmt 98.54 76.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.468 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 6.3 m80 -149.86 150.27 31.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.613 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 19.4 mt-10 -111.76 154.89 24.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.5 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -148.32 114.25 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' CYS . 4.8 t60 -68.6 90.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.553 ' CG1' HD11 ' A' ' 50' ' ' LEU . 12.6 mm -62.78 148.58 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.452 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -166.74 78.41 0.21 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.605 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -69.29 131.17 44.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CE2' ' HB ' ' A' ' 69' ' ' ILE . 12.2 m-85 -107.49 141.65 38.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -46.6 -24.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -85.98 -36.43 10.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -174.19 157.4 2.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 0.737 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.626 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 4.1 tpt -83.42 118.8 23.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.546 ' HB ' ' CE2' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -108.7 118.76 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.45 ' SG ' ' CD1' ' A' ' 61' ' ' ILE . 3.8 t -103.91 95.37 5.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 108.362 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 60' ' ' HIS . 4.1 m -75.38 123.12 24.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 13.9 tttt -97.35 128.06 43.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 58' ' ' GLU . 84.1 p -125.19 136.56 53.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.468 ' ND2' ' NE2' ' A' ' 57' ' ' HIS . 13.3 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 86' ' ' ALA . 32.8 mt-10 -29.31 -46.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.649 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 1.6 m-30 -92.2 -138.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 16.1 mtt85 -156.45 166.57 33.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 110.229 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.53 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -123.01 149.33 44.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.5 ' N ' ' CD2' ' A' ' 90' ' ' LEU . 2.7 mttt -130.16 108.03 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.38 118.43 5.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.641 1.213 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.627 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -143.19 86.39 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.17 79.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.627 ' CE1' ' HB3' ' A' ' 93' ' ' LYS . 4.9 m-30 -76.28 -43.19 42.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.556 ' N ' HD11 ' A' ' 144' ' ' LEU . 12.0 tmm? -41.55 -23.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -82.46 -53.51 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' HG11 ' A' ' 99' ' ' VAL . 2.5 tttt -178.66 143.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.554 HG12 ' CG ' ' A' ' 95' ' ' PHE . 10.4 m -142.94 -178.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -157.76 77.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -77.43 116.89 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 115' ' ' GLU . 4.8 t30 -119.8 100.73 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.62 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 22.2 p-10 -72.3 78.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -90.85 79.74 5.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 7.4 t0 -148.92 170.91 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.784 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -143.71 14.84 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.63 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.3 OUTLIER 15.69 -76.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.612 1.195 . . . . 0.0 110.446 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.784 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.9 m-20 -31.95 -32.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.7 tt0 -112.8 -30.26 7.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.546 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.9 m-30 -106.53 -163.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -86.08 -93.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.241 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.506 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -173.7 79.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.611 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' A' ' 126' ' ' PHE . . . -164.26 153.47 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.62 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -140.09 174.54 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -101.02 117.88 35.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.59 HG13 ' CD2' ' A' ' 126' ' ' PHE . 3.7 mm -103.75 127.51 57.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 100' ' ' GLN . 62.3 mt -112.67 102.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.499 ' CB ' ' CE1' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -101.0 179.34 4.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.21 -173.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 51.48 20.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER 41.5 69.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -132.85 133.29 43.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.38 144.23 32.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.484 HG13 ' CE1' ' A' ' 126' ' ' PHE . 1.2 t -129.79 174.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 2.9 mt -135.69 78.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.623 ' CD2' HD23 ' A' ' 50' ' ' LEU . 15.3 m-30 -77.0 155.0 32.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.557 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 18.4 m -137.3 114.21 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.79 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.7 148.97 32.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -115.08 -8.05 12.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.477 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 1.2 t -106.13 111.64 24.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.42 -36.74 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -41.77 75.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.704 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 88.6 mt-10 -62.6 -40.12 95.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.236 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -60.56 -35.34 75.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.528 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 1.1 t30 -84.41 -39.25 19.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -22.06 56.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.79 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 38.3 m0 -74.05 -48.36 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -76.75 -50.81 12.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -49.61 -44.57 47.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.69 99.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -67.22 -44.87 78.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 15.4 mm -69.52 -17.66 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -44.74 74.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.556 HD11 ' N ' ' A' ' 96' ' ' MET . 11.6 mt -69.32 -63.73 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -42.35 -26.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.499 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.4 OUTLIER -73.66 -37.59 65.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -80.8 50.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.09 29.66 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -177.01 -37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.1 pp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.495 ' O ' HG13 ' A' ' 29' ' ' ILE . 2.2 mm-40 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.01 52.36 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.624 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 2.8 m-20 -157.82 -39.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.7 pp -51.2 -167.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.48 -64.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.751 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -112.45 36.1 4.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.1 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.751 ' C ' ' O ' ' A' ' 31' ' ' GLY . 52.5 t-105 . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.415 0.15 . . . . 0.0 110.966 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.5 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 8.2 mm -69.64 -74.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -137.64 131.23 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 12.7 pt-20 -110.5 120.39 42.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -158.11 160.27 30.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.525 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -113.27 118.47 34.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.414 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.751 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 4.6 mp -114.17 143.65 44.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.9 OUTLIER -98.07 141.16 31.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.9 ttt-85 -93.5 99.02 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.678 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.4 t -84.6 76.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -161.64 24.0 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.586 1.179 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.645 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 162.2 -22.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.645 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 18.2 ttmt 99.35 78.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 23.0 m80 -150.25 148.74 29.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 109.558 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 73' ' ' SER . 1.2 pt-20 -129.3 158.14 39.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 ptp85 -163.68 136.03 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.525 ' CG ' ' HB ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -79.06 93.9 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.58 HG13 ' CD1' ' A' ' 50' ' ' LEU . 15.8 mm -59.73 157.21 2.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -170.45 83.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.769 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -73.23 132.33 43.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.611 ' CE2' HG23 ' A' ' 69' ' ' ILE . 10.2 m-30 -102.86 158.66 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.5 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 12.1 t0 -63.03 -13.32 34.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.06 -38.03 3.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -176.14 141.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.769 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 1.2 tmt? -66.71 133.03 49.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.611 HG23 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -140.71 153.28 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.234 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.515 ' CB ' HD12 ' A' ' 61' ' ' ILE . 3.5 p -138.84 166.06 25.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.521 ' SG ' ' CB ' ' A' ' 60' ' ' HIS . 7.9 p -120.61 108.66 14.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 108.285 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -61.41 123.71 18.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.62 ' OG ' ' CE1' ' A' ' 88' ' ' TYR . 12.9 t -126.04 129.94 50.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.436 HD21 ' CD2' ' A' ' 57' ' ' HIS . 12.4 t-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.573 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 86' ' ' ALA . 21.0 mt-10 -33.21 -44.83 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.624 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 13.8 m-30 -89.64 -161.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -148.91 123.23 9.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.76 155.3 16.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 70' ' ' CYS . 0.4 OUTLIER -138.82 147.04 42.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.73 137.77 36.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.1 mttp -150.92 88.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -59.25 82.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.697 ' CD2' ' CB ' ' A' ' 68' ' ' MET . 6.3 m-30 -96.8 -45.47 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.446 ' N ' HD11 ' A' ' 144' ' ' LEU . 12.3 tmm? -41.07 -23.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -84.26 -50.86 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.248 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.401 ' C ' HG11 ' A' ' 99' ' ' VAL . 2.6 ttmt -175.37 148.4 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.573 HG12 ' CG ' ' A' ' 95' ' ' PHE . 19.6 m -150.21 -177.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 117' ' ' ILE . 2.2 tm0? -167.95 98.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -93.46 137.02 23.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 104' ' ' LYS . 28.7 t30 -127.15 78.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.618 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 1.1 p-10 -59.5 82.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -90.32 77.07 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -170.51 156.52 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.74 25.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.528 ' C ' ' N ' ' A' ' 109' ' ' GLU . 68.0 p 40.33 -143.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 42.63 21.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.528 ' N ' ' C ' ' A' ' 107' ' ' THR . 1.5 tt0 179.34 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -111.97 -177.55 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -86.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.51 78.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.598 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 127' ' ' SER . . . -156.71 155.32 31.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.618 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -145.55 162.08 38.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -91.43 131.75 36.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.254 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.622 HG13 ' CD2' ' A' ' 126' ' ' PHE . 2.8 mm -115.14 166.19 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 100' ' ' GLN . 22.3 mt -154.46 137.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.536 HD21 ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -126.5 138.76 53.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.452 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -41.55 -28.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 4.3 t0 -48.58 -20.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 8.4 tt0 88.44 44.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.24 157.03 43.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.43 167.34 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.943 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.5 t -147.08 175.85 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.488 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 23.3 mt -137.59 77.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.622 ' CD2' HG13 ' A' ' 116' ' ' ILE . 5.8 m-30 -68.52 165.97 17.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.549 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 32.5 m -147.4 102.11 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.054 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.731 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -103.95 153.74 20.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -117.26 -9.99 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.5 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -108.71 118.94 38.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.85 -33.42 16.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -36.22 69.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.723 ' O ' ' N ' ' A' ' 137' ' ' TRP . 4.8 mm-40 -66.11 -44.19 85.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.225 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -44.37 84.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.1 m-20 -72.87 -41.71 64.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.402 ' O ' ' HB1' ' A' ' 140' ' ' ALA . 35.4 t30 -76.98 -15.65 59.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.751 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 34.3 m0 -82.03 -43.66 17.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.48 ' HE2' ' CA ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -83.56 -36.88 23.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.78 -46.05 89.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 136' ' ' ASN . . . -56.69 -46.46 81.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.513 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -62.35 -49.36 75.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.0 -14.98 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.74 -40.84 72.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 110.026 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.546 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 22.2 mt -71.08 -64.92 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.454 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -46.42 -23.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.52 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.3 OUTLIER -70.48 -30.72 67.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.1 mtm180 -89.12 39.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -131.43 25.2 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -169.22 -40.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 5.4 mmtp -95.85 25.98 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.465 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -147.93 16.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.521 HG23 ' CB ' ' A' ' 90' ' ' LEU . 2.1 pp -108.77 -141.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.492 ' H ' ' HB ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -161.98 -77.63 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -102.29 15.51 56.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.58 ' C ' ' O ' ' A' ' 31' ' ' GLY . 49.2 t-105 . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.445 0.164 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.424 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 1.5 mm -90.17 -67.07 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.489 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -144.66 141.87 29.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -110.34 138.1 47.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.71 164.35 37.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.578 1.174 . . . . 0.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.438 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -114.96 115.33 26.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 110.407 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.785 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 5.0 mp -113.32 140.22 48.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.37 144.94 29.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.467 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.503 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.3 OUTLIER -94.5 108.08 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.606 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 2.4 t -87.78 71.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.22 20.64 0.56 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.621 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 170.39 -24.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.621 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 9.7 tttm 98.81 74.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 51.9 m80 -149.38 158.53 44.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.573 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' A' ' 73' ' ' SER . 4.8 pt-20 -125.76 164.12 21.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 71' ' ' CYS . 1.2 ptp180 -164.43 141.61 6.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.517 ' NE2' ' CD2' ' A' ' 62' ' ' PHE . 80.9 t60 -87.94 96.3 10.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.506 ' HB ' ' CD1' ' A' ' 50' ' ' LEU . 26.5 mm -66.74 156.72 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -166.89 91.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.529 HD23 ' CD1' ' A' ' 144' ' ' LEU . 4.4 tp -80.49 130.1 34.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.636 ' CE2' HG22 ' A' ' 69' ' ' ILE . 11.2 m-30 -105.0 155.12 19.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 3.5 m-20 -69.47 1.83 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -114.93 -34.79 1.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD12 ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -176.9 139.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 0.719 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.541 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -71.78 140.65 49.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.636 HG22 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -144.23 154.97 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 91' ' ' LYS . 26.7 p -144.17 141.09 29.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 108.287 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -104.7 127.15 52.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HA ' ' HB3' ' A' ' 59' ' ' ARG . 13.6 tttt -78.03 116.82 18.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.541 ' HA ' ' CD1' ' A' ' 88' ' ' TYR . 34.0 m -116.57 108.04 15.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.465 ' HA ' ' CA ' ' A' ' 28' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . 8.4 mt-10 -38.61 -44.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.35 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.541 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 12.6 m-85 -83.38 -168.36 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 1.9 ttp85 -135.46 116.33 14.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.521 ' CB ' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -68.64 142.43 55.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 70' ' ' CYS . 0.2 OUTLIER -119.49 155.81 31.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.16 120.05 36.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.63 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -125.61 74.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.482 ' CG ' HD12 ' A' ' 67' ' ' LEU . 45.2 m-85 -69.42 72.9 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 93' ' ' LYS . 3.2 m-85 -135.48 -2.18 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -54.53 -17.26 3.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tpt85 -89.33 -13.72 37.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -176.18 130.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 3.2 m -146.35 -178.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.402 ' O ' ' HB ' ' A' ' 117' ' ' ILE . 6.7 mt-30 -162.08 91.46 0.8 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.073 . . . . 0.0 110.329 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.479 HD13 ' CD1' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -83.93 137.49 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 104' ' ' LYS . 17.6 t-20 -128.96 81.48 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.596 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 8.8 p-10 -65.18 78.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -96.37 82.08 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 10.8 t0 -144.18 172.17 13.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.783 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.3 OUTLIER -149.61 19.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.634 ' O ' ' N ' ' A' ' 109' ' ' GLU . 0.6 OUTLIER 12.51 -74.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.783 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.0 m-20 -32.36 -31.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.634 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.2 tt0 -112.57 -29.86 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.582 ' O ' ' O ' ' A' ' 107' ' ' THR . 15.3 m-30 -109.35 -166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.531 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 2.5 tptt -80.71 -93.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.531 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 1.1 t-80 -175.17 75.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.612 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.527 ' CB ' ' OG ' ' A' ' 127' ' ' SER . . . -159.71 159.55 33.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.381 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.596 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -142.87 168.23 20.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.34 126.47 45.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.617 HG13 ' CD2' ' A' ' 126' ' ' PHE . 2.4 mm -102.5 166.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 36.2 mt -155.3 109.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.591 ' CD2' ' CD2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -85.95 146.85 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -47.1 -30.85 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 4.1 t0 -54.25 -15.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 12.4 tt0 91.16 22.05 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 5.2 t30 -104.3 -178.93 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.69 161.9 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -147.47 175.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 3.1 mt -135.91 80.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.617 ' CD2' HG13 ' A' ' 116' ' ' ILE . 3.1 m-85 -76.53 159.74 30.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.527 ' OG ' ' CB ' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -143.2 112.42 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 110.06 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.646 ' HB1' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.71 175.27 5.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -128.93 -24.87 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.22 125.95 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.95 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 134' ' ' LYS . . . -49.88 -23.39 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -42.57 39.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.706 ' O ' ' N ' ' A' ' 137' ' ' TRP . 20.2 mm-40 -57.87 -53.87 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -53.29 -44.62 68.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 2.9 t-20 -67.07 -42.47 84.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.36 -17.9 57.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.785 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 39.7 m0 -78.83 -41.16 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.487 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.3 OUTLIER -87.58 -36.2 17.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -63.62 -46.56 85.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.489 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -57.08 -45.28 83.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.482 ' CB ' HG22 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.09 -41.28 74.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.568 HG21 ' CE1' ' A' ' 146' ' ' TYR . 6.4 mm -68.05 -21.06 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 139' ' ' ALA . 29.1 t -70.62 -41.62 72.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.529 ' CD1' HD23 ' A' ' 63' ' ' LEU . 16.7 mt -73.1 -63.69 1.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 146' ' ' TYR . 0.0 OUTLIER -47.23 -21.98 0.34 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.568 ' CE1' HG21 ' A' ' 142' ' ' ILE . 0.5 OUTLIER -70.53 -29.66 66.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -83.99 7.29 18.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.87 31.23 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.938 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.92 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.64 ' HG3' ' CE ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.64 ' CE ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -106.82 28.57 7.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.515 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m-20 -166.02 27.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.505 ' CG1' ' HA ' ' A' ' 26' ' ' GLN . 1.5 pp -111.36 -156.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -155.33 -76.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.702 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.48 38.45 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.702 ' C ' ' O ' ' A' ' 31' ' ' GLY . 76.2 t-105 . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 64' ' ' PHE . 3.3 m-85 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.476 0.179 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.478 HG13 ' HA ' ' A' ' 65' ' ' ASP . 4.2 mt -62.46 -52.0 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.263 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.478 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 0.8 OUTLIER -148.95 132.57 16.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.633 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -113.89 130.83 56.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -171.24 171.03 43.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.582 HG22 ' CD2' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -119.27 118.44 31.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.449 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.715 ' HG ' ' CH2' ' A' ' 137' ' ' TRP . 5.2 mp -111.29 136.52 50.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -95.08 134.59 37.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.451 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.1 OUTLIER -87.96 100.8 13.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.698 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.5 t -81.52 72.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -150.18 6.0 0.68 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 54' ' ' GLY . . . 162.78 35.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.463 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER 48.36 80.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 5.7 m80 -148.86 142.63 25.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.561 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' C ' ' CG ' ' A' ' 59' ' ' ARG . 31.9 tt0 -122.95 159.48 28.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.356 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.468 ' CG ' ' C ' ' A' ' 58' ' ' GLU . 10.6 mtt180 -158.47 140.55 13.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.582 ' CD2' HG22 ' A' ' 49' ' ' THR . 0.5 OUTLIER -83.96 97.05 9.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.572 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.517 ' CD1' ' SG ' ' A' ' 70' ' ' CYS . 43.9 mm -71.72 147.49 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CE1' ' CB ' ' A' ' 47' ' ' GLU . 2.7 m-85 -162.7 82.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.805 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -71.4 135.23 47.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 44' ' ' PHE . 16.2 m-85 -108.84 157.98 18.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.478 ' HA ' HG13 ' A' ' 45' ' ' ILE . 9.1 t70 -60.3 -16.41 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.31 -37.37 4.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.492 1.12 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -176.2 147.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.805 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 1.2 tmt? -71.1 139.48 50.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.574 HG23 ' CZ ' ' A' ' 64' ' ' PHE . 1.2 tp -118.36 164.34 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.517 ' SG ' ' CD1' ' A' ' 61' ' ' ILE . 5.6 t -164.08 113.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 60' ' ' HIS . 22.6 p -101.7 112.17 24.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.293 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 133.88 56.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 58' ' ' GLU . 2.8 t -130.25 104.94 7.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' C ' ' A' ' 87' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 86' ' ' ALA . 33.6 mt-10 -26.96 -50.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.515 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 2.8 m-30 -95.22 144.01 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 2.0 ttt85 -96.88 112.58 24.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.56 ' CD1' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.27 140.57 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.53 ' N ' HD21 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -127.42 136.36 51.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.402 ' OE2' ' CE2' ' A' ' 94' ' ' PHE . 20.6 tt0 -72.13 142.4 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.605 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -152.47 81.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CE2' ' OE2' ' A' ' 92' ' ' GLU . 1.4 m-85 -58.26 89.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.689 ' CD2' ' CB ' ' A' ' 68' ' ' MET . 5.7 m-30 -100.72 -48.6 4.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.459 ' N ' HD11 ' A' ' 144' ' ' LEU . 1.3 tmt? -40.04 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' PHE . 1.7 tpt180 -80.02 -51.1 9.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.115 . . . . 0.0 110.247 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.431 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -176.21 148.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.532 ' CG1' ' HA ' ' A' ' 95' ' ' PHE . 13.2 m -154.61 -178.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.3 OUTLIER -167.9 99.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -88.83 141.34 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.486 ' N ' HG13 ' A' ' 101' ' ' ILE . 3.8 t-20 -133.42 79.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.568 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 4.3 p-10 -65.04 79.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 102' ' ' ASN . 1.1 mtmt -98.33 79.32 2.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 9.9 t0 -135.77 166.43 23.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.73 ' O ' ' N ' ' A' ' 108' ' ' ASN . 27.3 m-20 -134.84 8.4 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.606 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.7 OUTLIER 19.42 -79.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.452 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.73 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.3 t30 -33.17 -32.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.9 tt0 -112.71 -27.43 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CZ ' ' OD2' ' A' ' 106' ' ' ASP . 13.4 m-30 -105.81 -167.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -84.73 -90.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.513 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -175.83 78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 127' ' ' SER . . . -162.72 163.06 27.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.38 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.568 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -153.0 165.92 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.3 OUTLIER -93.81 133.7 36.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.586 HD12 ' CD2' ' A' ' 126' ' ' PHE . 4.9 mp -123.88 136.47 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 100' ' ' GLN . 55.4 mt -116.85 127.34 74.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.44 ' CD2' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -111.95 139.59 47.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 121' ' ' GLU . 24.8 tptt -41.63 -32.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.6 m-20 -46.03 -21.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.518 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 0.6 OUTLIER 88.25 39.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.248 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.9 157.68 44.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 2.4 p -114.72 160.46 19.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.4 t -139.74 176.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 4.3 mp -139.34 78.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.586 ' CD2' HD12 ' A' ' 116' ' ' ILE . 3.5 m-85 -74.31 165.62 24.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.553 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 39.3 m -144.35 104.11 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.678 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -102.42 147.21 27.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -111.96 -9.47 14.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.51 116.35 31.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 0.0 110.052 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.23 -32.93 4.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -41.95 64.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.72 ' O ' ' N ' ' A' ' 137' ' ' TRP . 7.0 mm-40 -59.7 -44.98 93.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.48 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -57.44 -44.29 84.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.544 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 0.2 OUTLIER -71.63 -41.31 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.42 -16.99 58.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.72 ' N ' ' O ' ' A' ' 133' ' ' GLU . 36.2 m0 -79.72 -40.25 29.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.4 OUTLIER -89.29 -34.35 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -63.1 -47.95 80.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.36 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.478 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -56.99 -44.28 82.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.522 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -64.21 -49.1 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.622 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 19.2 mm -67.64 -15.51 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 139' ' ' ALA . 3.9 t -70.67 -43.45 69.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 147' ' ' ARG . 67.8 mt -72.02 -63.73 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.392 1.057 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.444 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -46.01 -23.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.622 ' CE1' ' CG2' ' A' ' 142' ' ' ILE . 0.7 OUTLIER -71.92 -28.77 63.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.1 mtt180 -82.62 8.75 11.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.34 44.6 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 110.006 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 174.27 -34.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -94.93 21.67 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.448 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 58.6 t-20 -146.37 18.52 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 1.7 pp -115.41 164.58 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.483 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -106.22 -79.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -102.21 5.02 52.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 31.3 t-105 . . . . . 0 C--N 1.324 -0.5 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 27.1 p90 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.558 0.218 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 1.7 mt -52.07 -55.59 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.466 ' SD ' ' CD2' ' A' ' 63' ' ' LEU . 14.8 ptm -123.76 130.03 51.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.78 114.18 26.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.94 160.57 33.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.13 124.82 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.751 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 4.5 mp -113.07 143.69 43.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.92 142.66 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -94.43 102.37 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.66 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.6 t -88.01 75.52 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -161.51 24.97 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.429 1.081 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.635 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 163.34 -24.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.635 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 99.15 81.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.586 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 94.2 m-70 -162.51 149.75 13.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.574 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 73' ' ' SER . 2.0 mp0 -113.81 169.15 9.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -163.09 126.91 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.435 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -73.57 104.71 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.595 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 70' ' ' CYS . 18.9 mm -77.58 134.23 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.526 ' CD2' ' HE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -149.2 82.36 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.58 ' CD1' ' CD1' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -71.55 130.83 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.374 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.589 ' CE2' HG23 ' A' ' 69' ' ' ILE . 10.4 m-30 -107.71 152.4 24.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.3 t0 -61.02 -12.77 12.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' C ' ' SD ' ' A' ' 96' ' ' MET . . . -97.05 -34.11 5.78 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.451 HD11 ' N ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -174.51 158.42 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.476 ' CE ' HD13 ' A' ' 141' ' ' LEU . 17.8 mtp -85.07 119.7 25.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.589 HG23 ' CE2' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -110.8 146.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 15.6 m -142.5 92.76 2.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 108.347 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 60' ' ' HIS . 21.0 p -79.92 130.21 35.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 108.291 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 31.3 tttt -82.77 164.61 20.51 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.685 ' HA ' ' CG ' ' A' ' 88' ' ' TYR . 16.1 p -177.81 140.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 1.095 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 19.4 mt-10 37.12 -59.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 1.095 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -147.39 -73.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 175.43 152.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.513 ' HB3' ' HA ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -85.01 133.93 34.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -116.53 91.75 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.84 135.43 56.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.627 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 24.7 mttt -135.99 76.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 37.9 p90 -69.74 76.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 118' ' ' LEU . 10.8 m-85 -129.98 -4.69 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.506 ' HG3' ' N ' ' A' ' 97' ' ' ARG . 2.5 ptt? -47.23 -34.47 6.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.506 ' N ' ' HG3' ' A' ' 96' ' ' MET . 0.0 OUTLIER -64.22 -16.57 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -174.97 116.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 8.4 m -137.89 -178.07 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -168.96 115.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -100.5 135.85 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.6 m120 -126.56 80.39 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.184 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.572 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 16.9 p-10 -61.68 80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' ASN . 9.1 tttp -98.99 79.76 2.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 13.6 t0 -137.0 170.72 15.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.772 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -144.25 15.27 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.4 OUTLIER 13.64 -75.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.423 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.772 ' N ' ' O ' ' A' ' 106' ' ' ASP . 13.2 t30 -31.47 -32.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.645 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.0 OUTLIER -113.47 -31.2 6.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.585 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.0 m-30 -104.52 -170.02 1.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.464 ' HZ3' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -84.26 -89.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -173.78 78.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.605 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 127' ' ' SER . . . -157.78 160.34 37.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.572 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -148.41 166.36 28.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 15.7 pt-20 -94.94 130.01 41.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.623 HG13 ' CD2' ' A' ' 126' ' ' PHE . 2.7 mm -104.32 167.98 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' GLN . 58.5 mt -151.73 101.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.7 ' CD1' ' CE2' ' A' ' 95' ' ' PHE . 2.3 pp -109.03 163.16 13.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -46.59 176.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 69.61 6.14 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 57.09 75.53 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.51 138.12 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.24 150.47 34.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.927 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -127.99 174.71 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.524 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 3.2 mt -134.68 79.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.623 ' CD2' HG13 ' A' ' 116' ' ' ILE . 3.0 m-85 -76.48 158.71 31.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.538 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 18.1 m -139.47 104.48 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.071 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.769 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -105.31 141.51 36.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 0.0 109.384 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 -8.43 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 m -106.27 113.7 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.949 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -46.57 -34.34 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -43.34 67.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.741 ' O ' ' N ' ' A' ' 137' ' ' TRP . 21.0 mt-10 -60.45 -42.73 96.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -56.71 -42.92 80.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 32.6 t30 -76.28 -40.55 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.15 -15.84 59.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.769 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 34.1 m0 -80.82 -44.05 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.478 ' HE3' ' CA ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -83.53 -37.58 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.62 -46.48 88.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.46 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -59.03 -42.22 89.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -65.46 -47.72 75.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.493 HG23 ' CE2' ' A' ' 146' ' ' TYR . 24.8 mm -68.46 -17.24 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.0 t -69.21 -43.95 73.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.924 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.58 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 68.3 mt -69.13 -59.77 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.466 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 2.7 pp0? -46.98 -23.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.493 ' CE2' HG23 ' A' ' 142' ' ' ILE . 0.1 OUTLIER -76.52 -34.84 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -81.94 47.8 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.12 27.12 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -171.07 -39.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.455 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 33.9 mt-30 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.49 44.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.576 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 1.3 t-20 -168.87 -31.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 30' ' ' ASP . 2.4 pp -58.54 -145.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.534 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 12.2 t70 -158.4 -52.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.71 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -133.68 29.32 3.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.416 1.073 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.71 ' C ' ' O ' ' A' ' 31' ' ' GLY . 9.9 t-105 . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 31.7 p90 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.436 0.16 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 65' ' ' ASP . 32.8 mt -50.03 -59.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.515 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 0.6 OUTLIER -138.23 129.98 28.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -107.62 129.76 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.09 163.37 37.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.554 HG22 ' CG ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -116.29 117.92 31.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.765 ' HG ' ' CZ3' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -119.17 152.72 36.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.22 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.57 128.21 46.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' HIS . 13.2 ttt180 -80.26 90.59 5.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.602 ' CG1' ' CG2' ' A' ' 125' ' ' ILE . 1.2 t -64.37 176.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.597 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 81.35 -5.61 67.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -147.17 -36.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.5 OUTLIER 88.7 68.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' ARG . 53.9 m-70 -149.02 149.11 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.619 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -98.48 163.32 12.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.543 ' CA ' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -162.59 117.45 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.554 ' CG ' HG22 ' A' ' 49' ' ' THR . 0.2 OUTLIER -68.21 87.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.596 ' CG1' HD11 ' A' ' 50' ' ' LEU . 29.5 mm -57.48 145.49 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.514 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -164.54 80.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 144' ' ' LEU . 5.7 tp -70.32 115.61 9.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 62' ' ' PHE . 18.7 m-30 -92.36 145.4 24.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.574 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -55.09 -14.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.575 ' O ' ' CD2' ' A' ' 67' ' ' LEU . . . -94.02 -45.05 3.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 83.2 mt -161.0 146.41 14.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.436 ' CG ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.7 100.28 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.088 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.468 HG21 ' CD2' ' A' ' 90' ' ' LEU . 2.0 mm -93.96 147.69 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 1.6 p -149.49 106.39 3.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.543 ' O ' ' CA ' ' A' ' 59' ' ' ARG . 6.4 m -75.75 127.4 32.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 108.323 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.539 ' CG ' ' NH1' ' A' ' 59' ' ' ARG . 4.1 mtpm? -96.36 118.16 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.516 ' OG ' ' CD2' ' A' ' 88' ' ' TYR . 7.3 m -117.65 130.36 56.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.403 HD21 ' CE1' ' A' ' 57' ' ' HIS . 6.4 m120 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 87' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 86' ' ' ALA . 13.9 mt-10 -27.66 -53.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.576 ' CG ' ' OD1' ' A' ' 28' ' ' ASN . 2.8 m-30 -88.25 -142.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' LYS . 12.6 ttp180 -149.29 156.07 41.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.16 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.586 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -112.99 138.72 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.401 ' N ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -122.78 130.71 53.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.07 123.98 34.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 20.4 mttt -131.75 79.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 4.7 m-85 -62.67 79.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 93' ' ' LYS . 44.4 m-85 -144.02 7.94 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.493 ' HA ' HD11 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -61.7 -10.5 8.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 1.183 . . . . 0.0 111.015 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.13 -0.82 20.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.43 ' HB3' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -175.14 131.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.544 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 3.1 m -152.53 -175.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.6 mt-30 -168.66 82.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.468 HD13 ' CD1' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -76.68 144.69 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' LYS . 0.5 OUTLIER -133.85 84.05 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.618 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 51.5 p-10 -63.18 78.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -103.9 78.45 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 6.0 t70 -154.39 -159.3 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.545 ' O ' ' OG1' ' A' ' 107' ' ' THR . 0.1 OUTLIER 162.59 -24.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.393 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.545 ' OG1' ' O ' ' A' ' 106' ' ' ASP . 1.3 p 71.69 -6.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.435 ' H ' ' C ' ' A' ' 106' ' ' ASP . 7.4 m-20 -62.37 -6.52 3.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 107' ' ' THR . 4.2 tt0 -157.24 -20.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -108.86 -171.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -75.77 -88.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.541 ' CG ' HG23 ' A' ' 107' ' ' THR . 1.6 t-80 -178.01 79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.521 ' CB ' ' OG ' ' A' ' 127' ' ' SER . . . -167.27 148.35 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.684 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -115.48 174.49 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 118.8 37.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.522 ' N ' ' CD1' ' A' ' 116' ' ' ILE . 1.1 mm -95.47 157.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 100' ' ' GLN . 40.2 mt -150.86 110.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -110.56 178.0 4.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 118' ' ' LEU . 2.3 tptp -54.18 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.2 t70 45.73 23.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 42.38 83.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.476 ' CB ' HD13 ' A' ' 118' ' ' LEU . 15.6 m-20 -149.47 155.3 40.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -132.33 164.96 25.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.99 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.77 179.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.602 ' CG2' ' CG1' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -142.83 87.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 50' ' ' LEU . 17.4 m-30 -87.26 135.4 33.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.521 ' OG ' ' CB ' ' A' ' 113' ' ' ALA . 62.4 m -109.02 117.32 33.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.768 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -118.6 144.29 46.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -115.28 0.84 13.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.43 111.99 22.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.113 . . . . 0.0 110.067 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.21 -38.06 5.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.378 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -41.9 68.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.741 ' O ' ' N ' ' A' ' 137' ' ' TRP . 15.5 mm-40 -59.22 -48.82 80.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -54.45 -44.74 72.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.573 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 3.8 t-20 -70.53 -41.78 72.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -17.1 59.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.768 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 38.1 m0 -79.27 -39.48 32.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.034 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.3 OUTLIER -91.24 -35.89 14.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -58.64 -49.46 77.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -57.49 -40.12 77.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.442 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -69.11 -46.18 68.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.1 mm -67.08 -20.22 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -48.83 68.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.52 ' CD1' HD12 ' A' ' 63' ' ' LEU . 82.4 mt -71.45 -57.16 4.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 99' ' ' VAL . 1.2 tm0? -43.34 -25.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.514 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -78.21 -38.33 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.383 1.052 . . . . 0.0 111.001 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 144' ' ' LEU . 25.3 mtt-85 -78.94 49.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.64 25.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.72 -37.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 110.406 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.466 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.1 mt-30 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -91.22 36.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.643 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -167.57 24.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.479 ' CD1' ' N ' ' A' ' 30' ' ' ASP . 1.9 pp -119.48 -132.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -167.44 -82.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.584 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -101.37 10.96 58.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.584 ' C ' ' O ' ' A' ' 31' ' ' GLY . 63.5 t-105 . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.406 ' CE1' ' HE1' ' A' ' 64' ' ' PHE . 28.1 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.56 0.219 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.536 HG23 ' CG ' ' A' ' 46' ' ' MET . 1.4 mt -59.1 -69.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.536 ' CG ' HG23 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -126.69 143.01 51.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . 4.6 mp0 -118.01 123.1 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -169.51 156.44 27.45 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.601 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -110.13 129.91 55.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 110.376 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.728 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 2.0 mp -126.29 156.75 39.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.409 ' OG1' ' CG ' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -112.63 138.1 49.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 7.9 ttp85 -89.31 94.16 9.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.639 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.6 t -81.26 78.37 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -171.11 29.11 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.649 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 162.32 -22.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.4 0.706 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.649 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 100.15 78.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' ARG . 67.6 m-70 -141.85 135.41 29.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.072 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.409 ' CG ' ' OG1' ' A' ' 51' ' ' THR . 60.4 tt0 -143.04 139.92 30.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.763 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -175.69 -175.04 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.525 ' ND1' ' CE1' ' A' ' 62' ' ' PHE . 1.6 t-80 -92.51 147.1 23.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.58 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.501 ' HB ' ' CD1' ' A' ' 50' ' ' LEU . 37.1 mm -123.2 119.04 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 47' ' ' GLU . 64.2 m-85 -124.66 110.11 13.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.632 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.2 OUTLIER -92.2 129.03 38.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.539 ' CE2' ' HB ' ' A' ' 69' ' ' ILE . 4.0 m-85 -97.93 156.51 16.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.484 ' CA ' HG13 ' A' ' 45' ' ' ILE . 1.5 t0 -65.22 -11.79 44.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.53 -32.61 5.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -176.75 139.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.632 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -78.64 115.32 18.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.539 ' HB ' ' CE2' ' A' ' 64' ' ' PHE . 17.4 mm -108.52 118.68 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 14.4 p -103.23 117.34 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 108.355 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.763 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 2.7 m -97.69 99.18 10.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.35 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.603 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 30.9 mttt -91.28 155.49 18.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.498 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . 14.1 t -147.6 133.4 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 56' ' ' LYS . 23.0 t-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.529 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 86' ' ' ALA . 19.8 mt-10 -32.95 -58.88 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.656 ' CE2' ' NE ' ' A' ' 59' ' ' ARG . 1.6 m-30 -74.04 -168.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -143.85 117.99 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.98 152.09 44.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.409 ' N ' HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -136.6 116.26 12.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 11.4 pt-20 -59.45 116.17 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.62 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 6.6 mmtm -132.11 83.47 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -59.47 78.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.631 ' CE2' ' CE ' ' A' ' 68' ' ' MET . 6.6 m-30 -92.06 -46.01 8.01 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.471 ' HA ' ' CD2' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -41.37 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -81.36 -51.09 8.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG3' ' CB ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -173.42 149.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.559 HG13 ' CG ' ' A' ' 95' ' ' PHE . 14.0 m -155.33 -176.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' ILE . 2.1 tt0 -167.64 85.49 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.487 HD13 ' CD1' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -74.58 141.4 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.46 ' N ' HG13 ' A' ' 101' ' ' ILE . 1.7 t30 -134.98 90.94 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.621 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 13.2 p-10 -67.37 79.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -99.05 79.61 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -138.31 171.92 13.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.748 ' O ' ' N ' ' A' ' 108' ' ' ASN . 1.3 t70 -140.89 12.55 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.654 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.6 OUTLIER 13.34 -76.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.748 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.7 m120 -31.42 -32.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.6 tt0 -112.01 -31.14 7.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.573 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.1 m-30 -105.26 -166.89 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -92.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.455 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -174.73 79.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.581 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.487 ' CB ' ' OG ' ' A' ' 127' ' ' SER . . . -162.66 152.63 16.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.621 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -136.97 169.97 16.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.2 OUTLIER -96.77 122.17 39.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 110.331 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.487 ' CD1' HD13 ' A' ' 101' ' ' ILE . 2.0 mm -104.28 148.14 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 100' ' ' GLN . 1.9 mp -132.36 134.99 58.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.595 HD21 ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -123.11 134.96 54.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.5 ' CB ' ' HG3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -45.71 -25.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 24.4 t0 -52.1 -16.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 5.4 mt-10 87.4 46.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -151.24 159.95 44.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -124.21 163.05 22.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.95 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.62 176.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.493 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 5.3 mp -140.19 80.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.689 ' CD2' ' CD2' ' A' ' 50' ' ' LEU . 11.6 m-30 -75.03 156.62 35.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.528 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 37.1 m -138.83 112.11 8.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.623 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -110.65 158.49 18.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -118.78 -8.67 10.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.508 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -112.79 114.92 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.952 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.16 -35.6 3.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -39.97 79.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.684 ' HB3' ' NE1' ' A' ' 137' ' ' TRP . 4.2 mm-40 -61.28 -45.14 95.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.419 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 3.5 ttpt -57.9 -38.41 75.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.459 ' O ' ' HG3' ' A' ' 138' ' ' MET . 2.0 t-20 -78.58 -38.36 40.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.91 -19.06 55.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.389 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.728 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 41.3 m0 -78.74 -46.33 19.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -77.64 -39.75 44.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -59.71 -42.02 92.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.402 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -63.98 -43.88 94.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.583 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -64.03 -45.5 88.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.441 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 13.9 mm -70.39 -15.36 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.75 -42.41 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.501 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 62.0 mt -70.13 -63.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.394 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -22.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.516 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -73.02 -27.81 61.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 111.006 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 144' ' ' LEU . 6.6 mpt_? -92.12 25.28 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.46 31.19 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.054 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.78 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.649 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 6.5 pt20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' H ' ' CD ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -96.57 38.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -177.52 30.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.649 ' CG1' ' HA ' ' A' ' 26' ' ' GLN . 1.6 pp -136.83 -145.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.468 ' H ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -157.59 -81.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.44 19.34 29.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.564 ' C ' ' O ' ' A' ' 31' ' ' GLY . 57.3 t-105 . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.514 0.197 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.583 ' CD1' ' CD2' ' A' ' 144' ' ' LEU . 15.5 mt -78.17 -72.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mtp -139.71 133.4 30.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.591 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -110.22 116.67 31.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 61' ' ' ILE . . . -148.49 160.79 28.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.439 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.5 OUTLIER -113.06 116.17 29.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.743 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 2.6 mp -118.18 146.02 44.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -98.35 143.49 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.482 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' N ' HG21 ' A' ' 51' ' ' THR . 2.4 ptm85 -99.98 105.45 17.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.55 ' HB ' ' CG2' ' A' ' 125' ' ' ILE . 3.3 t -71.44 -176.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.468 ' H ' ' CG1' ' A' ' 53' ' ' VAL . . . 76.38 1.46 70.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.532 ' O ' ' CD ' ' A' ' 56' ' ' LYS . . . -156.7 -40.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.532 ' CD ' ' O ' ' A' ' 55' ' ' ALA . 0.7 OUTLIER 89.71 78.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.357 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.561 ' CE1' ' ND2' ' A' ' 74' ' ' ASN . 73.0 t60 -153.61 153.18 31.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 1.5 mt-10 -105.87 159.03 16.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.52 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 7.5 ptm180 -160.42 112.77 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.591 1.182 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.594 ' CB ' ' CD2' ' A' ' 88' ' ' TYR . 18.2 t60 -66.01 92.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.591 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.549 ' CG1' HD11 ' A' ' 50' ' ' LEU . 48.8 mm -62.0 155.33 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -170.34 82.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.486 ' CD1' HD13 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -71.51 125.09 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.426 ' HE1' ' CD1' ' A' ' 62' ' ' PHE . 7.7 m-30 -98.0 157.0 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.539 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 6.7 t0 -69.27 -0.83 6.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.05 -28.36 3.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 68' ' ' MET . 0.5 OUTLIER -174.16 174.75 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.404 ' C ' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -89.76 104.79 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.4 mm -100.34 131.8 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 5.7 m -136.31 111.92 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.278 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 60' ' ' HIS . 0.8 OUTLIER -90.97 103.37 16.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 108.281 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 2.0 ptmt -59.68 151.13 25.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.489 ' O ' ' CE1' ' A' ' 57' ' ' HIS . 35.0 t -140.87 124.4 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.192 . . . . 0.0 110.01 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.561 ' ND2' ' CE1' ' A' ' 57' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -32.22 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.594 ' CD2' ' CB ' ' A' ' 60' ' ' HIS . 1.1 m-85 -118.01 143.88 46.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -88.17 120.35 29.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.534 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -57.6 142.52 44.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -133.25 130.95 39.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -85.16 116.37 23.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.487 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 1.7 mmtt -133.5 75.68 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 12.2 p90 -76.66 75.03 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.701 ' CD2' ' CD1' ' A' ' 118' ' ' LEU . 3.7 m-85 -138.01 -0.16 2.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.439 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.62 -36.13 44.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -62.37 -6.86 3.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 95' ' ' PHE . 8.0 tttt -171.44 105.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.477 HG22 ' CG ' ' A' ' 141' ' ' LEU . 1.5 m -138.88 161.81 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 117' ' ' ILE . 5.2 mt-30 -147.17 128.62 14.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -116.1 143.09 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.511 ' N ' HG13 ' A' ' 101' ' ' ILE . 9.2 t-20 -148.86 117.06 6.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.645 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 17.8 p-10 -76.64 78.49 3.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 77.16 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 34.4 t70 -158.22 -51.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.608 ' CB ' ' O ' ' A' ' 105' ' ' ASP . 16.0 t0 90.9 -172.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.527 ' O ' ' O ' ' A' ' 110' ' ' TYR . 6.4 p -152.1 -61.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' THR . 3.0 t30 -39.89 -27.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.483 ' N ' ' C ' ' A' ' 107' ' ' THR . 9.2 tt0 -124.49 -14.36 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.666 ' CG ' ' O ' ' A' ' 105' ' ' ASP . 5.1 m-85 -125.96 -168.47 1.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.512 ' O ' HG21 ' A' ' 107' ' ' THR . 3.4 tttt -79.87 -94.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.524 ' O ' ' HA ' ' A' ' 127' ' ' SER . 5.7 p-80 174.17 78.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 126' ' ' PHE . . . -138.0 164.39 29.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.657 ' CD1' ' O ' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -139.5 152.23 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 102' ' ' ASN . 2.2 mt-10 -84.72 101.85 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 126' ' ' PHE . 1.0 OUTLIER -89.58 107.06 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 100' ' ' GLN . 58.6 mt -101.24 86.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.244 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.701 ' CD1' ' CD2' ' A' ' 95' ' ' PHE . 3.4 pp -90.26 161.11 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 118' ' ' LEU . 17.6 tttp -45.37 175.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.069 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 8.1 t0 76.37 -0.33 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.89 60.65 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -137.85 124.77 21.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.1 p -100.76 150.23 23.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.066 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -134.71 -179.94 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.55 ' CG2' ' HB ' ' A' ' 53' ' ' VAL . 7.4 mm -138.62 79.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.657 ' O ' ' CD1' ' A' ' 114' ' ' PHE . 10.2 m-30 -73.95 124.25 25.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -103.64 113.32 26.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.015 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.799 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -114.76 132.29 56.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.168 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -106.62 19.47 20.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 133' ' ' GLU . 1.0 OUTLIER -131.66 110.74 11.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -45.58 -37.19 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -37.49 68.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.805 ' O ' ' N ' ' A' ' 137' ' ' TRP . 18.0 mt-10 -62.33 -51.3 68.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -52.32 -43.78 64.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.391 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 138' ' ' MET . 0.7 OUTLIER -69.31 -47.54 64.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.19 -13.35 60.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.805 ' N ' ' O ' ' A' ' 133' ' ' GLU . 32.6 m0 -83.44 -43.36 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 108.059 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.3 OUTLIER -82.91 -35.33 26.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -65.18 -43.76 90.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.72 94.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.532 ' CD2' ' CG2' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -70.68 -46.75 62.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.6 mm -66.82 -20.23 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 139' ' ' ALA . 2.4 m -70.17 -44.18 69.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.583 ' CD2' ' CD1' ' A' ' 45' ' ' ILE . 73.7 mt -70.38 -58.39 3.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.424 ' HB3' HG21 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -47.75 -23.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.506 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.4 OUTLIER -75.47 -29.95 59.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.3 OUTLIER -83.95 45.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.4 27.03 2.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -172.16 -38.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.581 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.444 ' CD ' ' H ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -101.28 40.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -178.35 26.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.581 ' CG1' ' HA ' ' A' ' 26' ' ' GLN . 1.3 pp -122.5 -151.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.46 ' N ' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -153.67 -79.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.607 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -117.98 23.68 9.22 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.607 ' C ' ' O ' ' A' ' 31' ' ' GLY . 47.9 t-105 . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.426 ' CZ ' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.449 0.166 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.544 HG23 ' CG ' ' A' ' 46' ' ' MET . 0.3 OUTLIER -67.54 -72.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.544 ' CG ' HG23 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -130.54 115.93 17.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.509 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 2.3 pt-20 -101.01 123.89 45.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.11 161.23 34.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.412 ' HB ' ' ND1' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -116.07 116.65 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.349 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.759 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 3.7 mp -110.88 140.88 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -93.09 137.24 32.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 6.8 ttp-105 -88.24 107.75 18.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.671 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.4 t -92.34 76.26 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -162.19 24.24 0.22 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.632 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 163.55 -23.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER 98.75 82.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 82.3 m-70 -164.04 143.75 7.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.56 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 73' ' ' SER . 20.6 tt0 -111.21 167.79 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.436 ' NH2' ' CG1' ' A' ' 124' ' ' VAL . 4.6 ptt180 -163.09 123.62 2.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -71.42 95.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.574 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.546 ' CG1' HD11 ' A' ' 50' ' ' LEU . 41.4 mm -63.65 153.99 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.384 1.052 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 61' ' ' ILE . 10.0 m-85 -168.06 84.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.56 ' CD1' ' CD1' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -77.15 131.9 38.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.367 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 69' ' ' ILE . 17.5 m-30 -103.05 160.77 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 111.022 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.501 ' CA ' HG13 ' A' ' 45' ' ' ILE . 2.4 t0 -73.0 5.34 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -119.38 -29.89 1.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.455 HD11 ' CA ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -176.43 161.16 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.243 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.501 ' CB ' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -79.52 123.21 27.36 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.563 HG13 ' CE2' ' A' ' 64' ' ' PHE . 18.2 mm -121.64 122.89 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 8.3 m -120.22 133.86 55.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 108.299 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 60' ' ' HIS . 2.3 m -107.97 121.53 44.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 108.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.17 133.01 42.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.459 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . 58.3 p -128.9 122.33 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m120 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.583 ' O ' ' C ' ' A' ' 87' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.583 ' C ' ' O ' ' A' ' 86' ' ' ALA . 10.5 mt-10 -22.85 -56.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.357 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.459 ' CD1' ' CB ' ' A' ' 73' ' ' SER . 2.9 m-85 -94.9 149.29 21.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.455 ' CZ ' ' OD2' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -97.34 124.5 41.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.535 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -57.67 153.27 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -139.37 125.04 19.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.51 116.69 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 9.8 mttt -132.66 76.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.455 ' CA ' HD11 ' A' ' 67' ' ' LEU . 4.8 p90 -76.35 76.53 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.609 ' CD2' HD11 ' A' ' 118' ' ' LEU . 12.4 m-85 -132.95 -7.25 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.516 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.8 OUTLIER -49.9 -38.85 37.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 111.052 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.475 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -60.63 -11.53 7.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.494 ' CG ' ' OE1' ' A' ' 145' ' ' GLN . 12.3 tttt -175.15 90.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 141' ' ' LEU . 5.5 m -110.2 -179.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -167.34 104.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.401 HG22 ' CA ' ' A' ' 138' ' ' MET . 0.2 OUTLIER -94.74 135.91 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.378 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.6 m-20 -126.77 77.57 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.625 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 3.6 p-10 -59.98 82.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.484 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . 9.8 tptt -90.0 77.54 6.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 106' ' ' ASP . 2.9 t70 -152.03 -148.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 105' ' ' ASP . 4.7 m-20 151.72 -9.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 106' ' ' ASP . 61.2 p 51.44 -146.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.591 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 3.2 m-80 45.55 18.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 108' ' ' ASN . 2.2 mt-10 -176.96 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -98.7 -169.79 1.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.628 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -84.02 -94.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.39 1.056 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.672 ' CD2' ' O ' ' A' ' 112' ' ' HIS . 0.6 OUTLIER -178.88 75.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 127' ' ' SER . . . -157.3 168.81 26.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.625 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -156.87 161.77 39.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.484 ' HG3' ' CB ' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -90.88 130.99 36.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.662 HG13 ' CD2' ' A' ' 126' ' ' PHE . 2.7 mm -110.21 169.02 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' GLN . 29.9 mt -154.81 94.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.772 ' O ' ' O ' ' A' ' 119' ' ' LYS . 0.7 OUTLIER -101.4 104.34 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.772 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER 23.4 -152.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' A' ' 119' ' ' LYS . 22.3 t0 26.55 36.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 119' ' ' LYS . 5.3 tt0 33.3 36.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.521 ' CB ' HD13 ' A' ' 118' ' ' LEU . 5.7 m-20 -100.39 122.3 42.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -102.63 166.32 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.436 ' CG1' ' NH2' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -146.36 173.98 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.247 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 2.9 mp -134.64 78.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.662 ' CD2' HG13 ' A' ' 116' ' ' ILE . 2.9 m-85 -72.21 164.47 26.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.567 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 67.7 m -143.69 99.3 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.741 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.72 148.37 25.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -118.87 -6.51 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.554 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 3.3 t -107.28 111.94 24.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -43.05 -36.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -70.91 -46.21 62.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.724 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 5.9 mm-40 -60.72 -38.48 85.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -63.07 -36.76 84.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 21.1 t-20 -82.81 -36.74 25.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' GLU . 0.8 OUTLIER -76.96 -26.13 53.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.759 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 40.2 m0 -70.05 -50.31 42.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 108.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 1.1 ppp? -74.25 -39.96 62.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.92 -40.77 98.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.422 ' HB3' ' SD ' ' A' ' 46' ' ' MET . . . -59.99 -46.84 88.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.532 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.5 OUTLIER -67.0 -48.63 67.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.54 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 2.7 mm -64.04 -19.75 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -68.37 -42.76 78.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.56 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 82.2 mt -71.86 -63.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.494 ' OE1' ' CG ' ' A' ' 98' ' ' LYS . 37.4 tp60 -44.06 -24.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.54 ' CD2' ' O ' ' A' ' 142' ' ' ILE . 0.1 OUTLIER -73.65 -40.35 63.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.2 mtp180 -79.28 50.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.63 33.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.5 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.444 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.2 pp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.636 ' NE2' ' HZ3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HZ3' ' NE2' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -121.65 30.74 6.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.567 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 2.2 t-20 -137.43 -34.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.577 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.7 pp -54.24 -156.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.81 -76.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.559 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.0 23.45 23.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.559 ' C ' ' O ' ' A' ' 31' ' ' GLY . 66.7 t-105 . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 47' ' ' GLU . 2.7 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.575 0.226 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.523 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -82.85 -78.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.457 ' HG3' HG23 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -134.39 137.65 44.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -107.52 116.64 32.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -159.17 165.66 34.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.087 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.55 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -123.36 121.17 35.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 0.731 . . . . 0.0 110.37 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.706 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 2.9 mp -112.84 146.68 38.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.549 ' CG2' ' HB3' ' A' ' 127' ' ' SER . 0.9 OUTLIER -91.68 137.76 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.388 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -91.51 80.58 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.605 ' CG1' ' N ' ' A' ' 54' ' ' GLY . 1.0 OUTLIER -58.59 173.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.605 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 100.85 -1.98 55.47 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -172.13 -76.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 5.3 ptmt 160.25 71.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -135.26 148.82 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.62 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.586 ' O ' ' O ' ' A' ' 73' ' ' SER . 4.8 mp0 -141.82 152.96 44.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HB3' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -163.35 152.62 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.55 ' CG ' ' HB ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -87.5 97.01 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.572 ' CG2' ' CE ' ' A' ' 68' ' ' MET . 41.2 mm -69.3 113.84 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -123.02 86.06 2.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.636 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -73.92 133.74 43.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' ' 69' ' ' ILE . 19.6 m-30 -106.64 157.71 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.523 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -72.55 58.3 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.56 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 174.48 -35.84 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 66' ' ' GLY . 15.5 mt -164.79 125.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.691 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 1.6 ttm -68.51 135.86 52.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.566 HG13 ' CE2' ' A' ' 64' ' ' PHE . 38.3 mm -119.16 151.75 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 4.5 m -142.39 107.95 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 60' ' ' HIS . 12.6 p -83.17 111.4 18.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 59' ' ' ARG . 10.6 tttt -58.08 137.06 57.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.601 ' OG ' ' CD2' ' A' ' 88' ' ' TYR . 5.0 m -139.79 147.37 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.0 mt-10 -36.18 -50.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' OG ' ' A' ' 73' ' ' SER . 13.2 m-30 -80.17 -177.8 6.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -133.75 112.53 11.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.368 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.517 ' CD1' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.73 140.9 54.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -127.75 145.66 50.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -88.2 117.25 26.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -123.07 97.57 5.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.224 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.432 ' HA ' HD21 ' A' ' 67' ' ' LEU . 39.9 m-85 -67.32 80.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.691 ' CE2' ' SD ' ' A' ' 68' ' ' MET . 6.9 m-85 -101.91 -45.34 5.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.47 ' HA ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -44.36 -20.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.447 ' N ' ' C ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -85.19 -50.75 7.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.509 ' C ' HG11 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -175.28 142.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.587 HG12 ' CD2' ' A' ' 95' ' ' PHE . 16.3 m -145.36 -179.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 109.247 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 117' ' ' ILE . 2.8 tt0 -164.46 102.45 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -95.31 135.93 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.408 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -130.18 91.82 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.626 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 28.6 p-10 -68.5 79.58 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.23 79.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -134.14 173.22 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.776 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.2 OUTLIER -148.47 17.6 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.648 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 12.51 -74.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.776 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.1 t30 -31.34 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.5 tt0 -110.73 -32.2 6.95 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.586 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.6 m-30 -104.12 -166.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.614 1.196 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.18 -88.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 128' ' ' ALA . 1.5 t-160 -175.42 78.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 126' ' ' PHE . . . -167.87 161.08 12.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.626 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -135.79 173.3 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 102' ' ' ASN . 4.9 pt-20 -95.36 121.68 37.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.8 mm -98.71 164.95 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 100' ' ' GLN . 74.3 mt -148.4 79.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.624 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 3.0 pp -82.26 172.83 12.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.8 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.92 17.19 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 45.26 68.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -138.41 125.85 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 150.39 20.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -137.68 174.78 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 4.5 mm -133.56 82.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.635 ' CD2' HD23 ' A' ' 50' ' ' LEU . 12.2 m-30 -75.69 145.18 41.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.549 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 0.1 OUTLIER -124.51 111.52 15.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.97 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.73 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.19 143.87 41.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.67 -4.89 14.01 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.49 112.43 24.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.34 -37.84 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.7 -42.62 77.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.71 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 11.3 mm-40 -62.43 -38.67 90.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -36.83 80.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 138' ' ' MET . 58.0 t30 -84.0 -37.27 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 140' ' ' ALA . 1.1 m-20 -77.38 -21.83 52.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.73 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 37.9 m0 -74.57 -50.31 18.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 108.002 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.438 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -71.66 -52.43 17.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.388 1.055 . . . . 0.0 111.009 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.438 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -52.13 -44.32 64.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 136' ' ' ASN . . . -59.46 -37.87 79.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -68.99 -52.59 27.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.29 -17.3 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 t -69.93 -42.65 72.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.47 ' HB3' ' HA ' ' A' ' 96' ' ' MET . 15.8 mt -67.85 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.9 -23.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.256 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.508 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.2 OUTLIER -72.84 -31.17 64.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -86.16 43.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.251 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.3 31.95 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.29 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.582 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 47.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.452 ' N ' ' HA ' ' A' ' 86' ' ' ALA . 2.5 t30 178.56 24.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.582 ' CG1' ' HA ' ' A' ' 26' ' ' GLN . 2.3 pp -131.52 -135.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.522 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -176.15 -80.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.55 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -100.38 11.2 59.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.55 ' C ' ' O ' ' A' ' 31' ' ' GLY . 53.3 t-105 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.641 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 25.0 p90 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.476 0.179 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.501 ' HB ' ' CD2' ' A' ' 63' ' ' LEU . 2.7 mt -97.27 -68.12 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.499 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 4.5 mtp -89.7 109.63 20.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' CG ' ' CD1' ' A' ' 44' ' ' PHE . 4.8 mm-40 -110.52 83.89 1.84 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -163.38 175.01 39.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.555 ' HB ' ' CD2' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -122.16 120.48 34.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 0.723 . . . . 0.0 110.433 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.746 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 4.3 mp -109.32 133.68 52.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 126' ' ' PHE . 0.9 OUTLIER -78.91 135.83 37.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.361 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -93.66 93.64 8.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.49 ' HB ' ' CG2' ' A' ' 125' ' ' ILE . 1.4 t -74.94 -175.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . 93.22 11.55 58.41 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 54' ' ' GLY . . . 89.58 59.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.77 -111.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.459 ' CD2' ' HA ' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -174.8 -174.7 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.609 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 4.9 mt-10 -70.26 161.6 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 52' ' ' ARG . 25.6 mtm180 -159.72 113.6 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.646 ' ND1' ' CE2' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -68.05 120.82 14.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.553 ' HB ' ' CD1' ' A' ' 50' ' ' LEU . 39.0 mm -95.82 127.35 47.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CE1' ' OE1' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -136.17 81.43 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.501 ' CD2' ' HB ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -71.78 127.73 33.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.7 m-30 -101.63 143.12 31.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.8 t0 -54.68 -17.06 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . -95.59 -39.37 4.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 64' ' ' PHE . 56.7 mt -157.27 178.47 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 0.714 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.677 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 13.5 ttm -103.83 114.15 28.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.4 mm -110.07 139.63 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 75.5 m -142.9 112.51 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 108.234 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 15.2 p -96.21 129.03 43.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -75.51 144.86 41.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.512 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . 36.2 t -130.38 97.38 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.178 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.459 ' HA ' ' CD2' ' A' ' 57' ' ' HIS . 1.9 m-80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.7 mt-10 -32.12 -41.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.646 ' CE2' ' ND1' ' A' ' 60' ' ' HIS . 3.1 m-85 -112.3 138.55 48.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -81.43 116.65 21.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.94 151.61 14.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 0.3 OUTLIER -137.92 123.05 19.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 123.69 20.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.677 ' O ' ' HB3' ' A' ' 68' ' ' MET . 22.1 mttt -148.44 73.48 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 42.7 p90 -78.24 76.2 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.623 ' CE1' ' CG ' ' A' ' 120' ' ' ASP . 0.8 OUTLIER -130.28 0.32 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.582 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.61 -19.71 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -89.71 -4.17 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 119.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 1.2 m -145.65 179.46 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -164.54 109.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.225 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.2 OUTLIER -98.32 138.61 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 104' ' ' LYS . 20.6 t30 -128.58 80.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.597 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 23.7 p-10 -60.8 82.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -107.76 79.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 28.4 t0 -132.63 169.68 16.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.765 ' O ' ' N ' ' A' ' 108' ' ' ASN . 4.6 t0 -139.65 9.68 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.623 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 16.07 -77.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.765 ' N ' ' O ' ' A' ' 106' ' ' ASP . 93.8 m-20 -32.6 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.2 tt0 -113.91 -27.64 7.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.564 ' O ' ' O ' ' A' ' 107' ' ' THR . 14.0 m-30 -107.03 -168.56 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.544 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -77.87 -93.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.544 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.8 OUTLIER -176.74 75.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.574 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 126' ' ' PHE . . . -165.29 163.11 20.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.597 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -137.43 176.9 8.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.36 124.27 45.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.609 HD12 ' CD2' ' A' ' 126' ' ' PHE . 4.3 mp -118.13 141.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 17.8 mt -131.64 117.67 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.608 ' CB ' ' CD2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -93.82 145.1 24.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.482 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -37.28 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.623 ' CG ' ' CE1' ' A' ' 95' ' ' PHE . 4.6 t0 -43.69 -22.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.556 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 7.5 tt0 90.2 24.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 3.6 t-20 -122.73 167.57 13.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 8.0 p -118.97 166.32 13.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 109.968 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -149.4 176.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 20.3 mt -141.3 84.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.609 ' CD2' HD12 ' A' ' 116' ' ' ILE . 4.4 m-85 -80.35 144.39 32.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' A' ' 112' ' ' HIS . 0.5 OUTLIER -124.25 108.75 12.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.777 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -108.0 146.06 33.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 9.92 14.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.2 112.32 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.23 -27.97 1.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -44.99 28.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.374 1.046 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.776 ' O ' ' N ' ' A' ' 137' ' ' TRP . 15.5 mt-10 -63.65 -43.74 95.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 9.7 pttt -57.42 -37.76 73.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.472 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 2.4 t30 -81.7 -40.13 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.42 ' O ' ' HB1' ' A' ' 140' ' ' ALA . 1.2 m-80 -77.36 -21.04 53.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.777 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 36.5 m0 -73.31 -45.64 54.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.111 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -80.65 -48.31 12.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.437 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -52.3 -48.2 65.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.499 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -55.65 -42.48 75.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.421 ' HG ' ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -66.18 -52.51 47.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.63 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 19.4 mm -64.15 -17.38 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.065 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 139' ' ' ALA . 7.6 t -69.01 -46.36 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' A' ' 96' ' ' MET . 17.7 mt -69.4 -61.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.6 tt0 -47.1 -22.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.355 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.63 ' CE1' ' CG2' ' A' ' 142' ' ' ILE . 0.9 OUTLIER -75.88 -26.69 57.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 111.092 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 144' ' ' LEU . 19.0 mtp85 -86.06 7.71 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.19 29.63 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -174.94 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.489 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -94.63 32.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.414 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 1.8 t-20 -160.97 22.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.366 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.515 ' CG2' ' HB3' ' A' ' 90' ' ' LEU . 1.8 pp -122.05 -128.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.449 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 2.5 t70 -165.13 -72.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.647 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -126.3 16.91 6.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.647 ' C ' ' O ' ' A' ' 31' ' ' GLY . 32.7 t-105 . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.511 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 35.4 p90 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.522 0.201 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 3.4 mm -53.05 -61.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.515 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 1.1 ptm -144.14 142.61 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 15.0 pt-20 -119.93 119.13 32.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ILE . . . -155.7 166.55 32.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.14 118.82 31.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.732 ' HG ' ' CZ3' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -115.09 142.7 46.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -77.59 121.87 24.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.28 98.0 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 125' ' ' ILE . 2.0 t -74.27 -176.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.65 1.39 66.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.611 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -150.01 -42.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 0.775 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 1.3 tttt 96.11 67.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.586 ' CE1' ' ND2' ' A' ' 74' ' ' ASN . 91.5 m-70 -161.41 167.81 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.632 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 73' ' ' SER . 1.3 mp0 -112.28 158.11 20.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.498 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 21.2 mtm180 -148.31 117.21 6.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' CYS . 1.4 t60 -66.96 92.06 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.554 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.628 ' CD1' ' CZ ' ' A' ' 126' ' ' PHE . 17.3 mm -59.64 153.36 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -170.72 90.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.391 1.057 . . . . 0.0 110.99 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.518 ' CD1' HD13 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -88.81 129.07 35.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 44' ' ' PHE . 16.7 m-85 -99.75 151.72 20.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.421 1.076 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.493 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 7.6 t0 -59.57 -16.86 28.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.59 -36.62 6.43 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -174.32 147.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 0.802 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -78.94 138.09 37.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.94 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.545 ' CD1' ' C ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -147.89 136.86 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.492 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 13.5 p -109.36 154.79 22.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 60' ' ' HIS . 3.9 m -118.45 107.46 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -73.57 121.32 20.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 58' ' ' GLU . 11.9 p -123.43 105.79 10.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.075 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.586 ' ND2' ' CE1' ' A' ' 57' ' ' HIS . 1.7 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.482 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' ALA . 14.2 mt-10 -35.8 -49.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 86' ' ' ALA . 8.9 m-85 -83.62 -160.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -141.38 136.14 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.566 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -93.76 156.02 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -139.89 100.44 3.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.54 132.25 53.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 68' ' ' MET . 0.8 OUTLIER -136.55 75.41 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.51 ' O ' ' CD1' ' A' ' 95' ' ' PHE . 20.0 m-85 -60.91 79.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.591 ' CE2' HD11 ' A' ' 118' ' ' LEU . 13.2 m-85 -139.93 6.47 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.478 ' CB ' ' HA ' ' A' ' 67' ' ' LEU . 1.3 tmt? -57.04 -14.1 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 98' ' ' LYS . 9.5 ttt180 -97.1 -7.11 33.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 110.241 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 2.4 mttt -175.06 130.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.553 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 2.4 m -151.99 -179.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' A' ' 117' ' ' ILE . 6.2 mt-30 -158.27 76.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.461 ' HB ' ' CD2' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -77.67 135.78 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.2 m-20 -128.3 75.54 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.508 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 11.8 p-10 -59.22 78.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -107.01 71.75 0.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.57 ' HB3' ' N ' ' A' ' 114' ' ' PHE . 2.4 p-10 -128.4 -152.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 105' ' ' ASP . 2.9 m-20 -170.21 -173.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 108' ' ' ASN . 5.7 t -177.82 -149.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.445 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.588 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 64.5 t30 50.39 16.61 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.588 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 9.6 tt0 153.73 -20.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.442 ' CB ' ' HB3' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -95.84 -167.37 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -163.2 -17.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 105' ' ' ASP . 13.8 t-160 -53.2 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.553 ' HB1' ' CB ' ' A' ' 127' ' ' SER . . . -50.02 -179.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.759 ' CD1' ' O ' ' A' ' 126' ' ' PHE . 44.7 p90 -102.95 165.64 10.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -107.75 144.07 35.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.517 ' O ' ' HA ' ' A' ' 123' ' ' SER . 2.6 mp -118.81 156.59 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 100' ' ' GLN . 56.5 mt -148.18 103.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.591 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -106.64 176.15 5.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.519 ' CB ' ' CD1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -51.49 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 60.87 13.06 4.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 49.51 72.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.2 141.71 37.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -119.5 159.49 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.462 ' CG1' ' NH2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -142.96 178.85 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.495 ' CG2' ' HB ' ' A' ' 53' ' ' VAL . 6.9 mt -142.81 84.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.759 ' O ' ' CD1' ' A' ' 114' ' ' PHE . 8.6 m-85 -96.56 136.42 37.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.553 ' CB ' ' HB1' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -108.24 126.74 53.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.739 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.78 140.63 46.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -114.63 13.48 17.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.47 ' CB ' ' HG3' ' A' ' 133' ' ' GLU . 1.2 m -130.72 113.68 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.491 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -47.63 -35.59 9.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -38.87 63.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.805 ' O ' ' N ' ' A' ' 137' ' ' TRP . 29.1 mt-10 -62.54 -48.26 80.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 10.2 ptmt -53.87 -44.64 70.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.1 t30 -70.11 -46.28 65.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.94 -15.22 60.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.805 ' N ' ' O ' ' A' ' 133' ' ' GLU . 29.0 m0 -80.14 -40.96 26.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 108.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -89.8 -35.21 15.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -61.81 -46.76 88.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -56.04 -49.2 74.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.461 ' CD2' ' HB ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -66.1 -47.65 73.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 13.8 mm -61.49 -22.53 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 139' ' ' ALA . 5.9 t -69.36 -38.49 78.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.068 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 63' ' ' LEU . 82.5 mt -68.75 -62.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 145' ' ' GLN . 40.5 tp60 -47.06 -22.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.503 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.9 OUTLIER -82.39 -40.05 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -77.21 51.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.629 1.206 . . . . 0.0 110.345 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.35 33.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -179.55 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.539 ' N ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -116.98 42.19 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.601 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m-20 -148.3 -30.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -56.37 -161.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -145.69 -84.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -104.19 8.95 49.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.579 1.175 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 34.4 t-105 . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.432 ' CE1' ' HE1' ' A' ' 64' ' ' PHE . 11.3 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.519 0.2 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.481 HG23 ' CG ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -42.69 -65.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.481 ' CG ' HG23 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -138.24 135.51 35.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 1.9 mp0 -115.2 115.93 27.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -163.74 163.32 35.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.497 ' HB ' ' CD2' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -115.79 121.45 42.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 0.744 . . . . 0.0 110.414 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.753 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 3.8 mp -112.79 144.89 41.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.479 HG23 ' CB ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -100.84 144.37 29.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.403 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.7 ttp85 -93.35 102.53 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.618 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 2.4 t -77.67 71.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -149.72 7.09 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 54' ' ' GLY . . . 159.87 39.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 0.722 . . . . 0.0 109.352 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 55' ' ' ALA . 4.6 pttm 44.39 75.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -137.71 144.62 41.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 24.9 mt-10 -114.41 163.24 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -160.82 126.24 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.497 ' CD2' ' HB ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -79.64 101.9 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.634 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.65 ' O ' ' CD2' ' A' ' 62' ' ' PHE . 27.8 mm -78.98 143.15 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CD2' ' O ' ' A' ' 61' ' ' ILE . 17.1 m-85 -164.4 89.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -87.95 130.71 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.931 ' O ' ' N ' ' A' ' 66' ' ' GLY . 5.1 m-85 -115.45 73.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.48 ' CA ' HG13 ' A' ' 45' ' ' ILE . 25.2 t0 38.76 -71.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.931 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -36.14 -44.39 0.78 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -175.08 156.3 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.64 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -87.07 121.53 29.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 91' ' ' LYS . 29.1 mm -107.75 141.8 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 4.6 m -125.49 122.3 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 108.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.3 m -89.8 138.12 31.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.462 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -87.84 112.72 22.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.525 ' HA ' ' CD1' ' A' ' 88' ' ' TYR . 2.2 t -117.42 100.33 7.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 86' ' ' ALA . 20.8 mt-10 -34.25 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 11.2 m-30 -108.9 -168.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.451 ' HG3' ' CB ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -142.76 118.33 10.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.427 ' CD2' ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.38 156.44 10.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.467 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 1.1 tppt? -140.06 151.77 45.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.49 120.96 30.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.622 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -139.97 79.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -62.48 80.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.65 ' CZ ' ' CD2' ' A' ' 118' ' ' LEU . 3.1 m-85 -90.67 -37.66 13.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.514 ' HA ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -50.61 -17.71 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' PHE . 19.8 ttt180 -83.47 -52.65 6.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -175.98 141.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.484 ' CG1' ' HA ' ' A' ' 95' ' ' PHE . 4.2 m -151.33 -177.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -160.03 79.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.49 HG21 ' CD1' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -74.0 112.02 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -112.5 81.63 1.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.584 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 5.6 p-10 -78.36 113.28 16.21 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -129.75 75.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.264 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.91 178.42 4.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.767 ' O ' ' N ' ' A' ' 108' ' ' ASN . 44.9 m-20 -146.87 14.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.631 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER 14.83 -76.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.767 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -32.58 -32.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.6 tt0 -113.05 -28.55 7.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.584 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.7 m-30 -109.53 -166.28 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.54 ' CG ' ' N ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -82.33 -95.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.54 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 4.9 t-80 -175.33 78.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 126' ' ' PHE . . . -158.46 164.27 36.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.584 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -143.03 164.14 30.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 102' ' ' ASN . 1.9 mt-10 -93.64 129.3 39.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.602 HG13 ' CD2' ' A' ' 126' ' ' PHE . 1.5 mm -110.38 156.6 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 100' ' ' GLN . 84.5 mt -147.8 129.65 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.65 ' CD2' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -122.48 136.99 55.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.362 1.039 . . . . 0.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.479 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -40.74 -30.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.5 OUTLIER -45.23 -22.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 4.9 tt0 91.18 39.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -146.23 154.23 41.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.392 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 92.3 p -120.39 164.39 16.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.67 173.28 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 4.8 mp -138.87 79.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.624 ' CD1' ' CB ' ' A' ' 50' ' ' LEU . 4.3 m-85 -69.69 153.43 43.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.479 ' CB ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -139.14 103.58 4.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.721 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -102.64 163.36 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.56 -5.7 9.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.72 118.22 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -49.25 -29.42 5.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -76.36 -42.52 44.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.696 ' O ' ' N ' ' A' ' 137' ' ' TRP . 7.5 mm-40 -59.52 -44.58 93.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 11.4 pttt -59.22 -40.51 86.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.441 ' O ' ' HG3' ' A' ' 138' ' ' MET . 0.7 OUTLIER -75.79 -39.01 57.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -79.83 -17.57 52.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 35.8 m0 -78.22 -47.38 18.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 108.038 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.444 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -74.82 -46.91 33.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 111.059 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -55.36 -44.54 76.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.461 ' HB1' ' SD ' ' A' ' 46' ' ' MET . . . -58.9 -37.96 77.81 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -70.77 -52.62 19.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.49 ' CD1' HG21 ' A' ' 101' ' ' ILE . 25.6 mm -64.31 -20.9 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 139' ' ' ALA . 45.0 t -71.11 -38.41 72.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.085 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.514 ' HB3' ' HA ' ' A' ' 96' ' ' MET . 22.9 mt -67.71 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -45.7 -24.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.505 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.2 OUTLIER -72.34 -29.19 63.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -85.79 42.9 1.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 110.199 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.98 38.87 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.021 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 176.8 -35.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.0 51.02 1.03 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.511 ' O ' ' O ' ' A' ' 29' ' ' ILE . 6.3 t30 -173.61 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.2 pp -54.58 -158.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -141.49 -77.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.554 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -108.03 9.19 36.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 7.9 t-105 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.608 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.447 0.165 . . . . 0.0 110.961 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -70.43 -74.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.425 ' HG3' HG23 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -133.85 139.5 46.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -115.21 135.49 54.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.87 170.97 43.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.095 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.498 ' CG2' ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -123.92 114.67 20.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 110.405 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.728 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 3.4 mp -113.15 144.01 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.496 HG23 ' CB ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -102.38 148.14 25.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.436 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.1 ttt180 -95.11 104.78 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.637 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 2.1 t -81.38 73.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -160.9 23.88 0.25 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.587 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 160.22 -20.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 16.9 tttp 94.2 77.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -140.79 149.96 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.599 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' SER . 39.7 tt0 -122.38 157.52 31.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.495 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 1.7 ptp85 -160.99 137.68 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 71' ' ' CYS . 2.5 t60 -83.71 89.83 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.665 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.511 ' HB ' ' CD1' ' A' ' 50' ' ' LEU . 34.2 mm -59.97 146.5 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 109.228 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -161.04 84.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.484 ' CD1' HD13 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -76.56 128.55 34.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.596 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 16.8 m-85 -103.88 153.77 20.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' HA ' HG13 ' A' ' 45' ' ' ILE . 1.7 t0 -72.88 57.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' HD22 ' A' ' 67' ' ' LEU . . . 172.53 -30.39 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.431 HD22 ' O ' ' A' ' 66' ' ' GLY . 24.5 mt -158.45 129.52 6.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.706 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -85.5 109.58 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.948 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.596 HG23 ' CZ ' ' A' ' 64' ' ' PHE . 1.2 tp -99.15 165.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -152.08 91.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.259 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 60' ' ' HIS . 5.3 m -67.64 110.96 3.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 108.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -71.53 161.86 30.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.627 ' CB ' ' CE2' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -158.35 110.5 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.577 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -35.69 -38.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.627 ' CE2' ' CB ' ' A' ' 73' ' ' SER . 4.3 m-85 -89.74 178.81 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -131.73 108.68 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.564 ' CD1' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.32 126.0 25.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HB3' ' SG ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -114.44 122.3 46.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 122.42 19.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 68' ' ' MET . 0.1 OUTLIER -139.6 77.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.676 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 45.0 p90 -82.83 75.79 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CE1' ' HB3' ' A' ' 68' ' ' MET . 44.7 p90 -128.25 -15.82 4.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -38.64 -39.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 111.075 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -52.11 -18.43 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.63 99.57 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.602 HG13 ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -118.08 -178.99 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.1 OUTLIER -166.43 108.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.498 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -95.8 141.93 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.498 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -137.16 93.35 2.82 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.694 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 18.3 p-10 -62.63 80.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -102.94 93.24 4.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.652 ' CB ' ' O ' ' A' ' 113' ' ' ALA . 3.2 t70 175.48 -149.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.546 ' O ' HG21 ' A' ' 107' ' ' THR . 0.3 OUTLIER 178.2 -160.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 106' ' ' ASP . 1.7 p -147.46 -57.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.474 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -45.66 -24.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.513 ' C ' ' CD1' ' A' ' 110' ' ' TYR . 14.8 tt0 -131.05 -2.4 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 109' ' ' GLU . 4.7 m-85 -137.81 -168.1 2.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 112' ' ' HIS . 0.6 OUTLIER -86.78 -93.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.547 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 0.9 OUTLIER -179.87 79.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.532 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.652 ' O ' ' CB ' ' A' ' 105' ' ' ASP . . . -152.9 -174.57 4.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.694 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -170.34 163.1 8.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 0.0 OUTLIER -94.25 130.6 40.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.594 HG13 ' CD2' ' A' ' 126' ' ' PHE . 1.0 OUTLIER -103.18 167.13 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 100' ' ' GLN . 38.6 mt -153.25 104.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.595 ' CB ' ' CD2' ' A' ' 95' ' ' PHE . 2.2 pp -111.1 163.59 13.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -49.34 -178.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.68 12.12 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 53.23 79.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.426 ' CB ' HD13 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -153.11 129.13 10.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.36 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.6 p -110.71 157.08 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.051 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 115' ' ' GLU . 1.6 t -137.16 174.36 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 28.2 mt -135.51 78.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.615 ' CD1' ' CB ' ' A' ' 50' ' ' LEU . 3.2 m-85 -71.81 152.56 42.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.505 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -134.27 102.63 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.935 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.69 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.03 152.59 20.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -9.86 12.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.502 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -110.78 117.01 32.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.37 -34.45 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -39.26 74.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.721 ' O ' ' N ' ' A' ' 137' ' ' TRP . 6.4 mm-40 -60.96 -46.13 91.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -56.17 -44.44 79.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.2 t-20 -70.68 -42.63 70.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.45 -16.82 59.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.728 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 36.6 m0 -80.61 -43.56 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -84.31 -35.74 23.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 111.019 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -64.45 -43.71 93.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.35 80.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -47.26 52.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.516 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 37.1 mm -65.76 -19.79 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -45.63 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.505 ' CD1' ' SD ' ' A' ' 68' ' ' MET . 53.3 mt -65.75 -59.15 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.43 ' CB ' ' H ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -50.35 -22.81 1.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 142' ' ' ILE . 0.1 OUTLIER -78.4 -36.22 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 51.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.02 29.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -177.52 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.6 pp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.252 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.516 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -101.29 33.85 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.598 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 1.2 t-20 -164.72 23.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.559 ' CG2' ' HB3' ' A' ' 90' ' ' LEU . 1.7 pp -110.46 -126.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -172.82 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.522 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -86.97 -10.23 72.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.522 ' C ' ' O ' ' A' ' 31' ' ' GLY . 11.7 t-105 . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.645 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 6.0 p90 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.494 0.187 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.475 ' CG2' HD22 ' A' ' 63' ' ' LEU . 18.3 mm -56.93 -67.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.377 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ptm -143.68 143.79 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.517 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.16 127.98 54.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.237 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.6 167.94 41.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.532 HG22 ' CG ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -117.78 119.1 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.434 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.729 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 4.5 mp -111.64 137.92 48.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -85.49 140.08 30.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.512 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.2 OUTLIER -94.42 98.18 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.097 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.636 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 2.2 t -84.85 70.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.83 1.58 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 173.04 34.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.724 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 0.2 OUTLIER 48.38 79.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 51.2 m-70 -163.39 146.71 10.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.557 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.93 173.82 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -163.04 143.66 9.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.532 ' CG ' HG22 ' A' ' 49' ' ' THR . 3.5 t-160 -89.4 100.73 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.543 ' HB ' ' CD1' ' A' ' 50' ' ' LEU . 23.5 mm -77.56 147.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.605 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -160.45 94.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.498 ' CD2' ' CD1' ' A' ' 144' ' ' LEU . 19.9 tp -80.76 115.29 20.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.621 ' CE2' ' CG2' ' A' ' 69' ' ' ILE . 15.8 m-30 -95.53 146.64 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 14.8 t0 -57.98 -14.13 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.4 -39.55 4.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.507 HD21 ' CE2' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -175.53 151.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.512 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 20.7 ttt -82.45 140.78 33.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.621 ' CG2' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -142.86 150.49 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.484 ' SG ' ' CD ' ' A' ' 93' ' ' LYS . 50.4 m -138.84 123.75 18.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 108.25 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -96.94 140.84 30.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -88.3 133.46 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.377 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.579 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 12.5 p -134.21 124.59 26.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.01 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.513 ' CB ' HD11 ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 86' ' ' ALA . 15.7 mt-10 -33.28 -50.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.598 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 18.9 m-30 -64.0 -167.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 4.7 mtm180 -147.06 105.72 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.559 ' HB3' ' CG2' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -63.89 146.6 53.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -122.26 144.83 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.599 1.187 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 6.5 pt-20 -89.18 112.52 23.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.624 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 11.9 mttp -121.71 74.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.507 ' CE2' HD21 ' A' ' 67' ' ' LEU . 55.0 m-85 -65.77 75.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.624 ' CD2' ' HB3' ' A' ' 93' ' ' LYS . 5.6 m-85 -135.01 1.16 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.456 ' SD ' ' N ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -56.52 -13.87 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 111.022 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.443 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -97.79 -8.21 28.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.238 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -174.47 129.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 4.3 m -148.55 -178.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.4 mt-30 -164.93 80.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.447 HD12 ' CE2' ' A' ' 114' ' ' PHE . 0.2 OUTLIER -75.87 137.58 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 115' ' ' GLU . 2.2 t-20 -134.58 79.45 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.676 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -61.6 83.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -94.25 86.07 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -148.33 164.52 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.843 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -141.57 15.57 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.619 ' C ' ' O ' ' A' ' 106' ' ' ASP . 2.9 p 17.9 -73.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.442 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.843 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.9 m120 -33.05 -30.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.37 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.619 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.6 tt0 -114.14 -27.69 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.572 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.0 m-85 -109.77 -167.6 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -82.96 -90.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.518 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -175.47 76.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.623 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.535 ' CB ' ' OG ' ' A' ' 127' ' ' SER . . . -164.24 158.07 18.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.676 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 14.1 p90 -142.35 176.66 8.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -108.96 127.71 54.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.238 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.561 HD12 ' CG ' ' A' ' 126' ' ' PHE . 3.6 mp -102.53 164.2 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 100' ' ' GLN . 48.1 mt -152.93 103.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -103.73 158.28 16.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -46.63 174.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.43 0.87 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.27 80.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.468 ' CB ' HD13 ' A' ' 118' ' ' LEU . 1.3 m120 -157.26 135.13 10.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.386 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 30.4 p -116.37 165.77 12.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.22 178.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 5.3 mp -138.83 82.91 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.579 ' CD2' HD23 ' A' ' 50' ' ' LEU . 5.8 m-30 -83.78 165.97 18.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.535 ' OG ' ' CB ' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -145.1 100.26 3.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.729 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -98.53 141.97 30.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -6.1 13.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.4 m -107.68 112.43 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.17 -35.32 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -45.28 54.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.728 ' O ' ' N ' ' A' ' 137' ' ' TRP . 10.0 mm-40 -59.2 -44.38 92.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.93 -42.33 79.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.557 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 36.0 t-20 -75.36 -41.41 56.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.98 -15.74 59.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.221 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.729 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 35.5 m0 -81.2 -40.48 23.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 108.053 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.476 ' HE2' ' CA ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -89.32 -36.23 15.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.047 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -64.54 -46.05 84.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.53 -46.74 77.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.437 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 1.5 mp -67.01 -43.27 83.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.541 HG21 ' CE1' ' A' ' 146' ' ' TYR . 2.9 mm -67.97 -18.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 139' ' ' ALA . 19.2 t -71.54 -41.17 69.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.498 ' CD1' ' CD2' ' A' ' 63' ' ' LEU . 18.4 mt -71.66 -62.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.434 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -49.48 -21.51 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.541 ' CE1' HG21 ' A' ' 142' ' ' ILE . 0.4 OUTLIER -70.14 -27.74 64.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -93.32 17.84 10.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.91 30.23 4.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.74 -40.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HB3' ' CE ' ' A' ' 27' ' ' LYS . 1.1 mm-40 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' CE ' ' HB3' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -102.95 57.69 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.651 ' ND2' ' CD2' ' A' ' 88' ' ' TYR . 1.1 t-20 -173.37 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.58 ' O ' ' O ' ' A' ' 28' ' ' ASN . 2.6 pp -52.97 -156.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -136.65 -71.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.552 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -115.93 8.02 19.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 111.063 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.552 ' C ' ' O ' ' A' ' 31' ' ' GLY . 8.9 t-105 . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.411 ' HE1' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.503 0.192 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.449 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 1.1 mm -74.85 -73.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.479 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -125.71 123.77 39.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 4.3 pm0 -110.74 113.12 25.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -168.98 165.46 38.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.41 ' HB ' ' ND1' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -117.49 125.01 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.763 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 3.3 mp -114.9 145.0 42.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -95.07 124.78 39.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.456 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -77.56 85.08 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.601 ' CG1' ' N ' ' A' ' 54' ' ' GLY . 1.1 t -60.04 174.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.601 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 84.0 -17.92 24.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . -145.66 15.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' ALA . 16.1 tttp 37.89 76.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 13.1 m-70 -147.84 151.24 35.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.561 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 6.6 tt0 -110.88 158.99 18.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.479 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -160.74 123.33 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.41 ' ND1' ' HB ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -71.97 102.65 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.617 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.566 ' CG1' HD11 ' A' ' 50' ' ' LEU . 43.1 mm -79.41 144.9 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.411 ' CD1' ' HE1' ' A' ' 44' ' ' PHE . 12.3 m-85 -160.61 79.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.685 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -67.85 135.97 53.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.558 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 17.2 m-85 -111.6 160.41 17.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' HA ' HG13 ' A' ' 45' ' ' ILE . 31.4 t0 -65.52 -9.75 28.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.37 -35.63 3.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.41 148.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 0.813 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.685 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -74.19 128.11 34.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 111.045 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.558 HG23 ' CZ ' ' A' ' 64' ' ' PHE . 1.1 tp -112.39 155.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 3.6 m -143.99 106.25 4.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 108.36 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.2 m -83.07 123.55 29.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 1.4 mttm -67.11 147.32 53.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.555 ' OG ' ' CZ ' ' A' ' 88' ' ' TYR . 17.4 t -151.1 104.9 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.59 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' ALA . 20.1 mt-10 -34.49 -44.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.651 ' CD2' ' ND2' ' A' ' 28' ' ' ASN . 11.9 m-30 -79.1 179.31 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 111.083 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -136.26 116.68 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.92 143.66 47.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 5.5 tttp -124.75 146.22 49.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.78 120.26 33.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 19.1 mttt -138.47 86.6 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -58.66 91.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.625 ' CD2' ' SD ' ' A' ' 68' ' ' MET . 3.6 m-30 -105.44 -40.41 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.452 ' N ' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -45.88 -18.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 95' ' ' PHE . 16.0 tpt180 -85.99 -53.11 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' HG11 ' A' ' 99' ' ' VAL . 11.3 tptt -174.66 144.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.588 HG12 ' CG ' ' A' ' 95' ' ' PHE . 5.1 m -150.44 175.54 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 117' ' ' ILE . 1.3 mt-30 -158.65 101.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.198 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.2 OUTLIER -95.12 141.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.486 ' N ' HG13 ' A' ' 101' ' ' ILE . 1.6 m-80 -130.22 79.98 1.93 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.593 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 19.5 p-10 -61.33 80.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -103.49 73.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 106' ' ' ASP . 0.4 OUTLIER -142.62 -161.42 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.138 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.617 ' O ' ' OG1' ' A' ' 107' ' ' THR . 3.1 p-10 165.68 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.617 ' OG1' ' O ' ' A' ' 106' ' ' ASP . 2.7 p 70.37 -5.17 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.433 1.083 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.442 ' H ' ' C ' ' A' ' 106' ' ' ASP . 9.7 t-20 -62.4 -7.67 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -153.95 -22.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -110.02 -175.21 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.46 ' CE ' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -70.53 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.46 ' CD2' ' CE ' ' A' ' 111' ' ' LYS . 0.5 OUTLIER -178.98 76.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.56 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 126' ' ' PHE . . . -156.6 158.22 36.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.593 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -128.12 178.24 6.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 111.092 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 22.2 pt-20 -106.19 128.35 53.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.735 ' CD1' ' CD2' ' A' ' 126' ' ' PHE . 1.4 mp -106.94 166.07 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 100' ' ' GLN . 33.0 mt -147.81 78.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.346 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 2.5 pp -79.71 176.57 9.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 118' ' ' LEU . 8.9 tptp -53.84 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 52.69 19.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 43.91 65.46 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -132.83 136.56 46.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.36 148.3 29.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.994 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -130.63 178.11 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.561 ' CG2' ' CG1' ' A' ' 53' ' ' VAL . 1.8 mp -141.32 85.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.735 ' CD2' ' CD1' ' A' ' 116' ' ' ILE . 3.9 m-85 -80.19 146.05 31.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.488 ' CB ' ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -125.0 107.73 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.937 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.672 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -108.77 161.69 14.88 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -129.32 2.14 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.242 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 131' ' ' ALA . 1.3 m -114.34 108.66 17.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.058 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 130' ' ' SER . . . -36.64 -39.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.18 -57.78 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.744 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 38.2 mm-40 -44.94 -40.45 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -62.1 -38.39 88.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.406 1.066 . . . . 0.0 109.38 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 30.8 t-20 -82.63 -37.79 24.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 140' ' ' ALA . 1.3 m-20 -75.19 -26.05 58.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.763 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 38.7 m0 -69.87 -48.55 58.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 1.165 . . . . 0.0 108.042 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.438 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -77.66 -48.89 15.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -53.15 -45.02 68.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 136' ' ' ASN . . . -58.53 -42.89 88.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -63.68 -46.63 84.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.16 -16.68 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.3 t -68.45 -40.98 80.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 63' ' ' LEU . 18.0 mt -70.05 -64.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -23.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.52 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.1 OUTLIER -68.42 -30.9 69.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -87.42 46.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.28 35.02 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.03 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.372 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 2.1 pp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.506 ' OE1' ' CD2' ' A' ' 32' ' ' TRP . 5.3 mt-30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -94.41 32.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.65 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 1.7 m-80 -164.07 24.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 30' ' ' ASP . 1.8 pp -112.29 -127.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.509 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -164.29 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.538 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -106.59 5.92 38.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.549 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 13.6 t-105 . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.673 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 3.8 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.507 0.194 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 144' ' ' LEU . 1.6 mt -105.83 -63.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 63' ' ' LEU . 17.3 ptt? -125.56 132.92 52.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.587 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 2.1 pp20? -123.2 116.68 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -171.0 163.78 36.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.428 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -113.59 125.92 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 110.367 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.731 ' HG ' ' CE3' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -120.82 156.95 30.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 125' ' ' ILE . 0.7 OUTLIER -103.21 122.82 45.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.5 ttt-85 -78.86 92.72 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.54 ' CG1' ' N ' ' A' ' 54' ' ' GLY . 0.9 OUTLIER -62.28 167.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.54 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 100.85 -18.32 55.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . -159.1 24.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.9 pttp 36.78 77.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.36 146.03 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.621 1.201 . . . . 0.0 109.635 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 73' ' ' SER . 12.4 tt0 -112.7 154.52 26.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HB3' ' HA ' ' A' ' 72' ' ' LYS . 11.1 ptp180 -163.94 128.46 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.91 96.03 2.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.629 1.205 . . . . 0.0 109.643 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.636 ' CG1' HD11 ' A' ' 50' ' ' LEU . 38.6 mm -69.05 152.47 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.673 ' CE1' ' CD1' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -170.59 89.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.081 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -75.02 123.33 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.576 ' CE2' HG22 ' A' ' 69' ' ' ILE . 9.9 m-30 -98.31 148.21 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.447 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.7 t0 -57.08 -12.69 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -95.32 -41.73 3.89 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.592 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -175.84 150.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.356 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -67.64 134.19 50.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.576 HG22 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -137.69 133.44 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.465 ' CB ' HD11 ' A' ' 61' ' ' ILE . 31.0 p -125.53 130.56 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.316 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.9 m -93.77 114.75 27.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -66.29 128.71 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.376 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.558 ' OG ' ' CZ ' ' A' ' 88' ' ' TYR . 16.8 t -126.58 139.93 52.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 86' ' ' ALA . 32.5 mt-10 -30.47 -57.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.65 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 11.2 m-30 -64.86 -168.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HB3' ' CG ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -146.96 115.98 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.543 ' CD1' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.3 153.86 17.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.408 ' HB3' ' SG ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -138.07 109.91 7.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 1.3 mt-10 -69.04 130.47 42.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -134.03 76.65 1.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.614 ' CZ ' ' HB3' ' A' ' 92' ' ' GLU . 2.0 m-85 -71.6 71.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.646 ' CE1' ' CG ' ' A' ' 120' ' ' ASP . 2.0 m-85 -138.6 -2.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.573 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -46.85 -40.82 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -64.27 -4.24 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HG3' ' CB ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -171.19 101.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 1.2 m -136.84 170.04 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.9 OUTLIER -151.86 122.51 7.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -116.26 138.52 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 115' ' ' GLU . 1.1 m120 -137.79 111.12 7.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.417 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 37.8 p-10 -79.38 93.59 5.37 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.21 88.45 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.61 -149.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.503 ' O ' ' CG2' ' A' ' 107' ' ' THR . 1.3 t0 -158.09 -160.57 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.649 ' CG2' ' CG ' ' A' ' 112' ' ' HIS . 45.4 p -156.94 -144.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.582 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 0.7 OUTLIER 38.62 29.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.582 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 4.6 tt0 153.55 -25.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -105.24 -174.61 2.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.7 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -111.53 102.44 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.649 ' CG ' ' CG2' ' A' ' 107' ' ' THR . 0.2 OUTLIER -51.09 75.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.623 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.7 ' N ' ' O ' ' A' ' 111' ' ' LYS . . . -104.74 143.52 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.648 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -117.04 132.89 56.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.055 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' ASN . 1.2 pt-20 -79.65 90.65 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.699 ' CD1' ' CD2' ' A' ' 126' ' ' PHE . 2.6 mp -77.73 158.55 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 26.3 mt -155.15 104.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 120' ' ' ASP . 0.0 OUTLIER -80.85 142.24 33.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.469 ' CB ' ' HG3' ' A' ' 98' ' ' LYS . 1.4 tmtt? -41.39 -28.84 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.646 ' CG ' ' CE1' ' A' ' 95' ' ' PHE . 8.1 t0 -51.21 -17.9 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 0.7 OUTLIER 92.27 16.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.55 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 25.0 t30 -102.69 167.47 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.609 1.193 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.44 ' C ' ' CG2' ' A' ' 124' ' ' VAL . 2.5 p -132.96 162.75 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.489 ' O ' ' CD1' ' A' ' 125' ' ' ILE . 0.1 OUTLIER -153.64 174.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.53 HG23 ' CG1' ' A' ' 53' ' ' VAL . 3.7 mm -143.59 82.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.699 ' CD2' ' CD1' ' A' ' 116' ' ' ILE . 22.3 m-30 -78.96 113.73 17.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -97.26 111.14 23.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.78 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -100.61 166.96 10.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.611 1.195 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -128.28 0.44 5.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.532 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 4.4 t -118.92 118.02 30.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.387 1.054 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' ' 134' ' ' LYS . . . -48.3 -33.5 8.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -45.15 51.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.242 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.691 ' O ' ' N ' ' A' ' 137' ' ' TRP . 9.4 mm-40 -62.15 -41.21 98.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -59.16 -38.37 79.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 5.8 t30 -80.24 -40.49 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.13 -16.72 59.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.78 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 32.8 m0 -79.74 -44.62 20.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.45 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -82.92 -43.04 16.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.094 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -57.52 -46.84 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.456 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -55.3 -45.66 76.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -49.99 68.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.443 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 1.1 mm -66.52 -17.31 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -68.18 -40.56 82.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.573 ' HB3' ' O ' ' A' ' 96' ' ' MET . 89.5 mt -71.42 -60.41 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -47.9 -22.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.504 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.1 OUTLIER -73.51 -25.56 60.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.4 ttt85 -84.19 8.86 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.83 31.47 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -38.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 3.7 mt-30 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.502 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -89.55 11.14 20.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.387 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.69 ' ND2' ' CE2' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -128.4 -30.48 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.544 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.7 pp -56.08 -149.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.5 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -149.77 -68.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -118.24 12.31 12.72 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.638 ' C ' ' O ' ' A' ' 31' ' ' GLY . 41.1 t-105 . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.611 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 32.3 p90 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.542 0.211 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 4.1 mm -40.86 -56.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.486 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 2.3 ptt? -133.98 148.72 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.15 113.73 16.76 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -165.35 163.54 36.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.629 ' HB ' ' CD2' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -112.75 130.88 55.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.381 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.743 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 0.9 OUTLIER -127.61 160.95 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -115.65 125.51 52.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.389 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.2 OUTLIER -83.16 104.06 13.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.578 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 2.6 t -83.87 72.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -151.59 9.53 0.67 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 54' ' ' GLY . . . 164.61 39.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 45.96 75.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -133.07 135.45 45.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.609 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -143.73 138.22 28.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.751 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -175.86 -174.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.629 ' CD2' ' HB ' ' A' ' 49' ' ' THR . 6.7 m-70 -91.93 151.42 20.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.529 HD11 ' CB ' ' A' ' 70' ' ' CYS . 37.5 mm -126.26 128.31 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.448 ' O ' ' O ' ' A' ' 69' ' ' ILE . 3.6 m-85 -131.96 111.89 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -96.9 117.59 31.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' HG23 ' A' ' 69' ' ' ILE . 15.5 m-30 -87.3 150.46 23.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -67.41 0.75 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -111.17 -31.98 2.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.514 ' CD1' ' C ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -172.13 138.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 109.252 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' LYS . 2.2 ttp -76.77 121.19 22.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.638 HG23 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -126.56 145.72 33.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.529 ' CB ' HD11 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -136.61 126.56 25.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 108.257 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.751 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 6.0 p -100.51 102.98 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.583 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -93.32 150.53 20.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 109.233 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.51 ' CB ' ' HD3' ' A' ' 59' ' ' ARG . 7.1 t -146.89 165.71 28.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' ALA . 15.9 mt-10 -35.67 -54.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.69 ' CE2' ' ND2' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -78.05 -175.73 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -130.21 110.45 11.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -66.34 142.92 57.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.44 ' N ' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -120.02 99.57 6.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.29 99.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.514 ' C ' ' CD1' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -106.0 78.97 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.442 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.4 p90 -78.6 70.64 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 118' ' ' LEU . 4.3 m-85 -137.87 -6.85 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.528 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -43.83 -42.43 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -16.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -171.99 99.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 96' ' ' MET . 1.9 m -122.82 -178.78 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.457 ' O ' ' O ' ' A' ' 117' ' ' ILE . 1.0 OUTLIER -162.74 100.48 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.215 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -88.61 139.42 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 104' ' ' LYS . 12.1 t30 -123.7 79.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.615 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 21.0 p-10 -62.43 79.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -83.26 76.96 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.24 166.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.755 ' O ' ' N ' ' A' ' 108' ' ' ASN . 1.3 m-20 -178.12 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.643 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 15.32 -77.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.755 ' N ' ' O ' ' A' ' 106' ' ' ASP . 13.4 m-80 -32.25 -32.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.9 tt0 -114.98 -26.16 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.207 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.552 ' O ' ' O ' ' A' ' 107' ' ' THR . 8.8 m-30 -108.76 -168.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.67 -80.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -175.69 79.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.55 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.466 ' CB ' ' OG ' ' A' ' 127' ' ' SER . . . -169.21 167.31 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.615 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -137.12 169.97 16.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.24 124.94 43.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 101' ' ' ILE . 2.7 mm -99.56 163.99 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.457 ' O ' ' O ' ' A' ' 100' ' ' GLN . 30.5 mt -151.41 94.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -103.28 164.63 11.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -47.92 178.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.0 t0 66.64 8.93 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 52.87 74.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -149.96 122.26 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 71.4 p -100.38 150.28 22.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.427 ' C ' HG13 ' A' ' 125' ' ' ILE . 0.9 OUTLIER -125.86 172.32 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.398 1.061 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 3.2 mt -135.65 80.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD2' HG13 ' A' ' 116' ' ' ILE . 4.1 m-85 -79.67 133.46 36.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.498 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 35.8 m -111.67 110.76 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.769 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -116.26 146.21 42.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -111.07 -9.94 14.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.82 110.47 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.8 -35.7 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -45.55 69.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.718 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -61.47 -39.3 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.433 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 7.7 ttpt -59.76 -36.97 77.75 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.522 1.139 . . . . 0.0 109.213 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 50.2 t-20 -84.77 -37.5 20.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -75.61 -24.8 56.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.197 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.769 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 42.3 m0 -72.22 -48.94 39.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.005 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.4 OUTLIER -76.1 -49.21 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -49.66 -43.59 47.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.486 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -60.68 -42.54 97.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.461 ' CD2' HG22 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -66.19 -48.48 70.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.55 -20.43 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.52 -36.81 76.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 62.0 mt -70.28 -61.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.6 -22.18 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.216 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.509 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.1 OUTLIER -74.75 -26.96 60.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.94 36.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.04 28.76 8.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.67 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.3 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.53 53.46 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.639 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 2.9 t-20 -176.13 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.52 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.2 pp -59.63 -151.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' N ' HD11 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -144.08 -74.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -111.22 14.38 28.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.491 ' C ' ' O ' ' A' ' 31' ' ' GLY . 47.8 t-105 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.496 0.188 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 65' ' ' ASP . 3.0 mt -75.51 -67.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.408 ' SD ' ' HB3' ' A' ' 140' ' ' ALA . 3.1 mtt -139.06 130.11 26.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 11.5 pt-20 -109.45 137.5 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.92 162.21 34.39 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.419 1.074 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.508 ' CG2' ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -112.22 112.91 24.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.675 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 4.1 mp -110.4 136.36 49.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.473 HG23 ' CB ' ' A' ' 127' ' ' SER . 0.9 OUTLIER -90.39 130.92 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.439 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -86.23 80.71 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.591 ' CG1' ' N ' ' A' ' 54' ' ' GLY . 1.0 OUTLIER -62.19 173.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.591 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 104.15 10.25 34.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 54' ' ' GLY . . . 89.27 47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.24 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -121.94 -105.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.461 ' H ' ' HB3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -174.86 -175.89 0.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 6.8 mt-10 -85.16 164.76 17.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.461 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 5.9 mtp180 -158.25 132.53 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.508 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 3.0 t60 -85.36 92.42 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.499 ' HB ' ' CD1' ' A' ' 50' ' ' LEU . 39.5 mm -67.74 157.24 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.572 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -170.04 84.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.605 ' CD1' ' CD1' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -70.48 123.56 22.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.589 ' CE2' HG22 ' A' ' 69' ' ' ILE . 14.4 m-30 -100.52 153.14 19.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.487 ' N ' HG13 ' A' ' 45' ' ' ILE . 13.0 t0 -67.59 56.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.621 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 173.51 -41.24 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 66' ' ' GLY . 66.4 mt -164.19 128.76 2.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 0.724 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.664 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -88.2 141.1 28.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.589 HG22 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -130.89 157.89 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.0 p -128.07 128.79 45.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.326 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 90' ' ' LEU . 2.5 m -90.13 125.64 35.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.335 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 4.2 tttp -71.57 103.81 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.583 ' OG ' ' CE2' ' A' ' 88' ' ' TYR . 58.1 m -110.18 107.96 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.45 ' HA ' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.561 ' HA ' ' N ' ' A' ' 28' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 86' ' ' ALA . 19.7 mt-10 -34.48 -50.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.639 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 14.0 m-30 -88.71 -177.26 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -131.73 110.73 11.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -66.46 148.7 51.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.3 126.65 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.32 128.13 35.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.1 mptp? -138.32 88.37 2.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -58.77 90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.664 ' CE2' ' SD ' ' A' ' 68' ' ' MET . 3.3 m-85 -104.2 -50.36 3.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.453 ' N ' HD11 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -43.12 -21.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -82.33 -52.42 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.433 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 8.1 tttp -173.94 148.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.554 ' CG1' ' HA ' ' A' ' 95' ' ' PHE . 11.4 m -154.79 -177.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.8 mt-30 -165.74 102.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.545 ' CD1' ' CD1' ' A' ' 116' ' ' ILE . 0.6 OUTLIER -90.06 106.75 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 0.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.33 88.18 3.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.602 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 13.1 p-10 -69.46 95.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 109.216 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.05 80.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.688 ' CB ' ' O ' ' A' ' 113' ' ' ALA . 2.0 t70 -158.63 -148.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.541 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 1.5 t0 -172.62 -157.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 106' ' ' ASP . 17.3 p -158.49 -60.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -44.96 -23.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.254 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 107' ' ' THR . 33.7 tt0 -128.68 -10.14 5.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.541 ' CD1' ' HB3' ' A' ' 106' ' ' ASP . 2.5 m-85 -129.01 -170.29 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.6 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 4.1 tttt -80.3 -96.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.6 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 24.3 p80 178.44 78.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.384 1.053 . . . . 0.0 109.617 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.688 ' O ' ' CB ' ' A' ' 105' ' ' ASP . . . -153.39 -172.58 4.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.602 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -170.63 166.61 8.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.63 120.27 26.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.57 HG13 ' CD2' ' A' ' 126' ' ' PHE . 1.3 mm -107.23 124.54 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 100' ' ' GLN . 21.6 mt -111.46 128.51 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -115.58 140.14 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -44.13 -25.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -57.02 -7.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.503 ' H ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 73.01 42.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.01 142.09 34.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -108.53 151.8 25.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.5 t -140.29 175.08 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.483 ' CG2' HG11 ' A' ' 53' ' ' VAL . 8.3 mt -130.63 80.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PHE . . . . . 0.644 ' CD2' ' CD2' ' A' ' 50' ' ' LEU . 10.2 m-30 -74.43 132.56 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -113.82 109.36 18.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.954 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.741 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -107.5 132.11 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.02 -4.09 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -108.75 108.77 19.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -42.9 -38.85 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -68.27 -42.59 79.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.722 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 13.2 mt-10 -61.84 -40.22 94.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 5.6 ttpt -61.18 -34.67 75.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . 0.462 ' O ' ' HG3' ' A' ' 138' ' ' MET . 5.2 t-20 -85.07 -36.16 21.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -79.74 -23.16 42.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.741 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 41.2 m0 -73.18 -50.01 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.003 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -68.12 -54.31 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -51.62 -43.23 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 136' ' ' ASN . . . -61.24 -38.7 87.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.539 HD12 ' CD2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -71.66 -52.91 15.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.51 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 10.9 mm -68.02 -15.04 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.173 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 139' ' ' ALA . 9.3 t -69.31 -45.42 69.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.605 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 24.8 mt -70.19 -63.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -45.7 -24.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -72.09 -27.79 62.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -94.62 35.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.3 t -113.99 27.96 9.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.26 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.564 ' CB ' ' CH2' ' A' ' 32' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 1.4 p-10 -76.04 -46.61 28.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.25 -3.92 53.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 29' ' ' ILE . 7.6 mt -111.41 -26.8 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -57.61 -18.7 21.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' HG3' ' CB ' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -101.32 43.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -177.04 21.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.605 ' CG2' ' HB3' ' A' ' 90' ' ' LEU . 2.0 pp -123.18 -130.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HB3' ' CD1' ' A' ' 90' ' ' LEU . 1.3 t0 -165.78 -88.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.558 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -99.6 13.16 61.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.637 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 17.5 t-105 30.52 65.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.33 162.05 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.57 155.58 26.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -106.56 88.02 2.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.38 104.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' CYS . 7.6 pt -112.21 -33.46 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' HA2' ' CB ' ' A' ' 42' ' ' ASN . . . -55.29 -20.17 20.7 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -98.0 -23.95 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 13.8 m -91.18 -17.79 25.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER 159.89 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.279 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.455 ' CB ' ' HA2' ' A' ' 38' ' ' GLY . 64.0 t30 67.9 10.58 7.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -74.34 81.74 1.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.638 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 42.2 p90 -38.57 95.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 4.2 mt -54.98 -56.11 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.465 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -125.6 127.6 46.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.67 115.21 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.49 163.09 36.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.407 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -116.37 122.43 44.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.406 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.699 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 3.4 mp -113.93 145.23 41.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -97.82 140.48 32.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 2.1 ttm-85 -93.22 102.19 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.558 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 3.1 t -78.05 70.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -148.5 7.05 0.94 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 54' ' ' GLY . . . 160.58 40.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? 44.32 74.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -138.97 144.43 38.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.579 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 73' ' ' SER . 7.1 pt-20 -127.19 158.41 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.442 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 2.4 ptm180 -162.16 139.26 8.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.7 OUTLIER -81.25 97.59 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.555 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.502 ' CG1' HD11 ' A' ' 50' ' ' LEU . 50.5 mm -67.82 148.67 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.44 ' O ' ' CG2' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -158.03 85.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.505 ' CD2' ' SD ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -72.15 114.45 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.64 ' CZ ' HG22 ' A' ' 69' ' ' ILE . 12.8 m-30 -91.45 151.68 20.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' CA ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -63.22 -1.95 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -111.15 -34.03 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -173.87 179.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.522 ' CB ' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -100.71 131.35 46.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.64 HG22 ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -129.62 119.3 47.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 91' ' ' LYS . 10.6 m -105.29 114.49 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 108.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 69' ' ' ILE . 8.8 m -86.6 102.29 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 108.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.442 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -57.57 149.97 20.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.624 ' OG ' ' CD2' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -153.73 110.77 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -133.62 -60.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -130.63 -173.21 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -104.55 176.63 23.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -143.11 156.37 61.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -169.4 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.71 21.36 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.2 mt -65.75 -44.89 65.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -75.03 -1.12 10.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.65 29.37 9.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 66.33 93.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.96 177.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.475 ' CB ' ' HG3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER 171.31 51.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . -105.86 56.54 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -41.94 -28.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.624 ' CD2' ' OG ' ' A' ' 73' ' ' SER . 13.5 m-85 -95.71 -164.93 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -153.16 110.55 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.605 ' HB3' ' CG2' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.86 125.21 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -112.86 124.94 53.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -60.13 122.43 14.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.714 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -145.08 74.39 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -89.27 77.74 7.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.729 ' CE2' ' CD2' ' A' ' 118' ' ' LEU . 2.2 p90 -140.55 -19.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.686 ' HA ' ' CG1' ' A' ' 99' ' ' VAL . 2.0 mmt -39.57 -28.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' PHE . 1.2 ttt180 -59.99 -9.99 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' PHE . 19.4 tttt -173.87 84.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.686 ' CG1' ' HA ' ' A' ' 96' ' ' MET . 5.9 m -98.13 -176.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -166.24 79.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -74.8 143.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.3 m-20 -141.81 89.68 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.637 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 12.2 p-10 -60.08 80.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 102' ' ' ASN . 12.7 tttm -100.63 80.06 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 5.9 t70 -142.61 178.21 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.792 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.5 OUTLIER -147.22 15.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.647 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 13.69 -74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.792 ' N ' ' O ' ' A' ' 106' ' ' ASP . 4.7 m-20 -32.35 -31.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.5 tt0 -113.32 -29.73 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.603 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.6 m-30 -107.85 -168.77 1.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.96 -91.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.444 ' O ' ' OG ' ' A' ' 127' ' ' SER . 1.7 t-80 -175.38 76.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 126' ' ' PHE . . . -159.0 157.22 30.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.637 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -141.23 176.84 8.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -95.21 133.18 39.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.564 HG13 ' CG ' ' A' ' 126' ' ' PHE . 0.7 OUTLIER -116.17 116.66 53.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 100' ' ' GLN . 18.4 mt -102.15 89.46 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.729 ' CD2' ' CE2' ' A' ' 95' ' ' PHE . 4.5 pp -89.68 163.68 15.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.6 -175.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.4 t0 59.82 14.47 4.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 49.78 79.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.06 126.95 9.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -102.44 141.19 35.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.23 179.07 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.537 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 51.9 mt -139.75 81.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.677 ' CD2' ' CD2' ' A' ' 50' ' ' LEU . 12.7 m-30 -73.13 157.69 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -139.23 104.61 5.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.95 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.757 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -105.03 160.3 15.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -132.17 7.42 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 133' ' ' GLU . 1.6 m -120.99 110.83 16.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -41.96 -36.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -45.69 56.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.681 ' O ' ' N ' ' A' ' 137' ' ' TRP . 35.6 mm-40 -59.15 -43.76 92.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -58.27 -40.1 80.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 4.1 t-20 -77.74 -40.55 40.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.23 -18.13 59.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.757 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 35.4 m0 -78.18 -44.43 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.2 OUTLIER -84.17 -33.93 24.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -65.12 -43.9 90.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.91 91.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.515 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -66.24 -45.93 78.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.558 HG21 ' CE1' ' A' ' 146' ' ' TYR . 14.5 mm -66.3 -17.94 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.8 t -68.36 -51.97 38.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 147' ' ' ARG . 1.4 mt -71.67 -58.22 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -44.94 -25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.558 ' CE1' HG21 ' A' ' 142' ' ' ILE . 0.6 OUTLIER -73.36 -28.22 61.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.3 ttp85 -82.38 7.6 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.52 32.9 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.97 -36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.6 OUTLIER -109.67 -161.72 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.452 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 2.2 mmt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.493 0.187 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.8 p-10 -75.23 -59.0 2.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 25' ' ' ILE . 2.0 pt-20 -47.91 -24.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.409 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -73.87 -39.08 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.484 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 56.7 mt-30 -64.55 -11.95 39.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 110.26 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -91.21 8.61 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.649 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 7.6 m-20 -127.89 -27.98 2.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 30' ' ' ASP . 2.5 pp -57.41 -150.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.542 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -160.68 -44.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.557 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -131.19 44.41 1.21 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.588 ' CD1' ' OD1' ' A' ' 36' ' ' ASP . 66.5 t-105 -30.45 127.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.01 -179.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.68 ' O ' ' C ' ' A' ' 35' ' ' LYS . . . -38.73 116.73 0.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.68 ' C ' ' O ' ' A' ' 34' ' ' GLY . 17.3 mmtt -10.44 91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 0.788 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.588 ' OD1' ' CD1' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -114.64 137.41 51.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.468 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -140.55 -48.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.42 33.9 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -95.97 -28.83 14.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 0.753 . . . . 0.0 110.375 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.407 ' O ' ' HA3' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -157.21 29.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.332 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 31.5 p 179.64 110.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 108.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 37' ' ' ILE . 2.7 t-20 -164.13 27.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ILE . 23.5 mt-10 -154.48 67.74 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.354 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.5 p90 -34.17 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.015 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 1.1 mm -39.59 -51.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.478 ' O ' ' HG3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -139.32 138.76 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 1.2 pm0 -123.57 121.3 35.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -172.65 166.51 39.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.32 119.83 35.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.747 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 3.8 mp -109.52 139.04 45.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -89.8 143.66 26.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 10.8 ttt85 -94.88 99.27 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.688 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.4 t -82.61 75.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -164.57 24.71 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.624 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 162.49 -25.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 16.7 ttmt 98.54 76.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.468 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 6.3 m80 -149.86 150.27 31.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.613 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 19.4 mt-10 -111.76 154.89 24.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.5 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -148.32 114.25 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' CYS . 4.8 t60 -68.6 90.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.553 ' CG1' HD11 ' A' ' 50' ' ' LEU . 12.6 mm -62.78 148.58 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.452 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -166.74 78.41 0.21 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.605 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -69.29 131.17 44.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CE2' ' HB ' ' A' ' 69' ' ' ILE . 12.2 m-85 -107.49 141.65 38.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -46.6 -24.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -85.98 -36.43 10.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -174.19 157.4 2.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 0.737 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.626 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 4.1 tpt -83.42 118.8 23.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.546 ' HB ' ' CE2' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -108.7 118.76 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.45 ' SG ' ' CD1' ' A' ' 61' ' ' ILE . 3.8 t -103.91 95.37 5.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 108.362 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 60' ' ' HIS . 4.1 m -75.38 123.12 24.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 13.9 tttt -97.35 128.06 43.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 58' ' ' GLU . 84.1 p -125.19 136.56 53.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.468 ' ND2' ' NE2' ' A' ' 57' ' ' HIS . 13.3 t-20 -137.22 -61.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -173.23 -178.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.67 154.24 27.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.413 ' N ' ' HD3' ' A' ' 78' ' ' PRO . 1.1 pt20 -154.62 63.63 4.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.541 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -75.04 -169.1 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.541 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.1 OUTLIER 87.12 18.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.66 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 17.4 mt -71.45 -43.28 12.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.94 -2.5 12.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.03 -53.39 0.8 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.5 168.43 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.518 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.4 OUTLIER 72.67 -177.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.021 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 84' ' ' SER . 4.5 p30 153.89 91.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.066 . . . . 0.0 109.398 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 29' ' ' ILE . . . 176.68 45.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 86' ' ' ALA . 32.8 mt-10 -29.31 -46.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.649 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 1.6 m-30 -92.2 -138.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 16.1 mtt85 -156.45 166.57 33.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 110.229 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.53 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -123.01 149.33 44.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.5 ' N ' ' CD2' ' A' ' 90' ' ' LEU . 2.7 mttt -130.16 108.03 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.38 118.43 5.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.641 1.213 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.627 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -143.19 86.39 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.17 79.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.627 ' CE1' ' HB3' ' A' ' 93' ' ' LYS . 4.9 m-30 -76.28 -43.19 42.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.556 ' N ' HD11 ' A' ' 144' ' ' LEU . 12.0 tmm? -41.55 -23.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -82.46 -53.51 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' HG11 ' A' ' 99' ' ' VAL . 2.5 tttt -178.66 143.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.554 HG12 ' CG ' ' A' ' 95' ' ' PHE . 10.4 m -142.94 -178.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -157.76 77.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -77.43 116.89 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 115' ' ' GLU . 4.8 t30 -119.8 100.73 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.62 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 22.2 p-10 -72.3 78.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -90.85 79.74 5.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 7.4 t0 -148.92 170.91 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.784 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -143.71 14.84 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.63 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.3 OUTLIER 15.69 -76.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.612 1.195 . . . . 0.0 110.446 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.784 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.9 m-20 -31.95 -32.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.7 tt0 -112.8 -30.26 7.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.546 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.9 m-30 -106.53 -163.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.506 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -86.08 -93.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.241 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.506 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -173.7 79.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.611 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' A' ' 126' ' ' PHE . . . -164.26 153.47 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.62 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -140.09 174.54 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -101.02 117.88 35.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.59 HG13 ' CD2' ' A' ' 126' ' ' PHE . 3.7 mm -103.75 127.51 57.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 100' ' ' GLN . 62.3 mt -112.67 102.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.499 ' CB ' ' CE1' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -101.0 179.34 4.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.21 -173.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 51.48 20.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER 41.5 69.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -132.85 133.29 43.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.38 144.23 32.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.484 HG13 ' CE1' ' A' ' 126' ' ' PHE . 1.2 t -129.79 174.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.472 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 2.9 mt -135.69 78.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.623 ' CD2' HD23 ' A' ' 50' ' ' LEU . 15.3 m-30 -77.0 155.0 32.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.557 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 18.4 m -137.3 114.21 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.79 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.7 148.97 32.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -115.08 -8.05 12.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.477 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 1.2 t -106.13 111.64 24.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.42 -36.74 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -41.77 75.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.704 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 88.6 mt-10 -62.6 -40.12 95.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.236 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -60.56 -35.34 75.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.528 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 1.1 t30 -84.41 -39.25 19.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.91 -22.06 56.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.79 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 38.3 m0 -74.05 -48.36 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -76.75 -50.81 12.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -49.61 -44.57 47.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.69 99.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.572 HD22 ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -67.22 -44.87 78.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 15.4 mm -69.52 -17.66 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -44.74 74.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.556 HD11 ' N ' ' A' ' 96' ' ' MET . 11.6 mt -69.32 -63.73 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -42.35 -26.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.499 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.4 OUTLIER -73.66 -37.59 65.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -80.8 50.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.09 29.66 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -177.01 -37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.1 pp -83.03 -158.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.246 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 ttm . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.473 0.178 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -64.59 -49.04 72.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -77.48 -0.58 26.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.55 ' CD1' ' CD2' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -111.09 -29.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 22' ' ' MET . 2.2 mm-40 -63.31 -64.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.01 52.36 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.624 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 2.8 m-20 -157.82 -39.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.543 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.7 pp -51.2 -167.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.48 -64.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.751 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -112.45 36.1 4.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.1 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.751 ' C ' ' O ' ' A' ' 31' ' ' GLY . 52.5 t-105 -4.65 -77.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLY . 12.7 tp10 69.82 162.16 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.369 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' N ' ' HG3' ' A' ' 33' ' ' GLU . . . 107.76 -2.08 34.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 43.93 26.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER 162.33 -168.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -75.01 65.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.33 14.57 79.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.617 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 37.7 mt-30 66.83 49.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.617 ' CB ' ' O ' ' A' ' 39' ' ' GLN . 5.2 t 98.13 24.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 108.338 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.478 ' O ' ' CD1' ' A' ' 37' ' ' ILE . 4.1 m -131.48 -145.1 0.26 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.506 1.129 . . . . 0.0 108.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.427 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 1.0 OUTLIER 70.52 31.04 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -64.11 -7.57 9.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER 59.05 88.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.5 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 8.2 mm -69.64 -74.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -137.64 131.23 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 12.7 pt-20 -110.5 120.39 42.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -158.11 160.27 30.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.525 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -113.27 118.47 34.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.414 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.751 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 4.6 mp -114.17 143.65 44.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.9 OUTLIER -98.07 141.16 31.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.9 ttt-85 -93.5 99.02 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.678 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.4 t -84.6 76.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -161.64 24.0 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.586 1.179 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.645 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 162.2 -22.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.645 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 18.2 ttmt 99.35 78.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 23.0 m80 -150.25 148.74 29.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 109.558 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 73' ' ' SER . 1.2 pt-20 -129.3 158.14 39.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 ptp85 -163.68 136.03 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.525 ' CG ' ' HB ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -79.06 93.9 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.58 HG13 ' CD1' ' A' ' 50' ' ' LEU . 15.8 mm -59.73 157.21 2.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -170.45 83.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.769 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -73.23 132.33 43.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.611 ' CE2' HG23 ' A' ' 69' ' ' ILE . 10.2 m-30 -102.86 158.66 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.5 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 12.1 t0 -63.03 -13.32 34.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.06 -38.03 3.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -176.14 141.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.769 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 1.2 tmt? -66.71 133.03 49.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.611 HG23 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -140.71 153.28 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.234 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.515 ' CB ' HD12 ' A' ' 61' ' ' ILE . 3.5 p -138.84 166.06 25.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.521 ' SG ' ' CB ' ' A' ' 60' ' ' HIS . 7.9 p -120.61 108.66 14.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 108.285 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -61.41 123.71 18.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.62 ' OG ' ' CE1' ' A' ' 88' ' ' TYR . 12.9 t -126.04 129.94 50.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.436 HD21 ' CD2' ' A' ' 57' ' ' HIS . 12.4 t-20 -120.83 -66.53 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.78 -154.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.558 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.42 86.62 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.501 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -39.54 -51.87 4.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.436 0.727 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -75.1 172.38 16.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.421 1.748 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.56 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 1.4 ppt_? 152.24 -15.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.614 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 30.0 mt -51.88 -46.27 92.36 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.99 0.74 8.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 81' ' ' PRO . . . 37.82 93.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.37 -12.24 28.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.548 ' O ' ' C ' ' A' ' 85' ' ' ASN . 0.4 OUTLIER 175.6 33.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.548 ' C ' ' O ' ' A' ' 84' ' ' SER . 0.0 OUTLIER 27.86 74.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.573 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . 171.87 51.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 86' ' ' ALA . 21.0 mt-10 -33.21 -44.83 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.624 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 13.8 m-30 -89.64 -161.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -148.91 123.23 9.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.523 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.76 155.3 16.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 70' ' ' CYS . 0.4 OUTLIER -138.82 147.04 42.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.73 137.77 36.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.591 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.1 mttp -150.92 88.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -59.25 82.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.697 ' CD2' ' CB ' ' A' ' 68' ' ' MET . 6.3 m-30 -96.8 -45.47 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.446 ' N ' HD11 ' A' ' 144' ' ' LEU . 12.3 tmm? -41.07 -23.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -84.26 -50.86 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.248 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.401 ' C ' HG11 ' A' ' 99' ' ' VAL . 2.6 ttmt -175.37 148.4 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.573 HG12 ' CG ' ' A' ' 95' ' ' PHE . 19.6 m -150.21 -177.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 117' ' ' ILE . 2.2 tm0? -167.95 98.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -93.46 137.02 23.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 104' ' ' LYS . 28.7 t30 -127.15 78.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.618 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 1.1 p-10 -59.5 82.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -90.32 77.07 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -170.51 156.52 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.74 25.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.528 ' C ' ' N ' ' A' ' 109' ' ' GLU . 68.0 p 40.33 -143.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 42.63 21.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.528 ' N ' ' C ' ' A' ' 107' ' ' THR . 1.5 tt0 179.34 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -111.97 -177.55 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -86.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.51 78.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.598 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 127' ' ' SER . . . -156.71 155.32 31.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.618 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -145.55 162.08 38.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.455 ' HG3' ' CB ' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -91.43 131.75 36.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.254 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.622 HG13 ' CD2' ' A' ' 126' ' ' PHE . 2.8 mm -115.14 166.19 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 100' ' ' GLN . 22.3 mt -154.46 137.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.536 HD21 ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -126.5 138.76 53.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.452 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -41.55 -28.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 4.3 t0 -48.58 -20.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 8.4 tt0 88.44 44.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.24 157.03 43.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.43 167.34 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.943 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.5 t -147.08 175.85 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.488 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 23.3 mt -137.59 77.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.622 ' CD2' HG13 ' A' ' 116' ' ' ILE . 5.8 m-30 -68.52 165.97 17.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.549 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 32.5 m -147.4 102.11 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.054 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.731 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -103.95 153.74 20.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -117.26 -9.99 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.5 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -108.71 118.94 38.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.85 -33.42 16.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -36.22 69.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.723 ' O ' ' N ' ' A' ' 137' ' ' TRP . 4.8 mm-40 -66.11 -44.19 85.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.225 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -44.37 84.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.1 m-20 -72.87 -41.71 64.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.402 ' O ' ' HB1' ' A' ' 140' ' ' ALA . 35.4 t30 -76.98 -15.65 59.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.751 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 34.3 m0 -82.03 -43.66 17.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.48 ' HE2' ' CA ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -83.56 -36.88 23.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.78 -46.05 89.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 136' ' ' ASN . . . -56.69 -46.46 81.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.513 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -62.35 -49.36 75.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 6.1 mm -67.0 -14.98 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.74 -40.84 72.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 110.026 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.546 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 22.2 mt -71.08 -64.92 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.454 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -46.42 -23.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.52 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.3 OUTLIER -70.48 -30.72 67.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.1 mtm180 -89.12 39.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 97' ' ' ARG . 0.2 OUTLIER -131.43 25.2 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -169.22 -40.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp -83.31 -2.7 56.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.8 ttm . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.453 0.168 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.418 ' ND2' ' H ' ' A' ' 24' ' ' GLU . 1.5 p-10 -75.51 -56.66 4.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 14.4 pt-20 -61.86 -14.97 38.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.602 HD12 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -91.54 -38.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -36.62 31.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 5.4 mmtp -95.85 25.98 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.465 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -147.93 16.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.521 HG23 ' CB ' ' A' ' 90' ' ' LEU . 2.1 pp -108.77 -141.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.492 ' H ' ' HB ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -161.98 -77.63 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -102.29 15.51 56.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.58 ' C ' ' O ' ' A' ' 31' ' ' GLY . 49.2 t-105 28.55 -99.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.487 ' N ' ' CG ' ' A' ' 32' ' ' TRP . 8.8 pt-20 175.32 -165.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.17 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' LYS . . . -41.12 164.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.9 mmtm -37.89 -62.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.793 . . . . 0.0 109.358 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -135.74 151.21 49.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.0 mm -148.79 -44.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.07 -17.23 2.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.077 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 40' ' ' CYS . 2.4 pt20 -80.9 -29.25 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.327 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -98.36 -30.92 12.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.283 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER 168.11 -173.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 108.274 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 1.5 t30 76.43 35.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 109.38 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 20.3 tt0 -63.85 -72.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.446 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER 165.91 121.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.424 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 1.5 mm -90.17 -67.07 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.489 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -144.66 141.87 29.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -110.34 138.1 47.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.71 164.35 37.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.578 1.174 . . . . 0.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.438 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -114.96 115.33 26.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 110.407 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.785 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 5.0 mp -113.32 140.22 48.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.37 144.94 29.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.467 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.503 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.3 OUTLIER -94.5 108.08 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.606 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 2.4 t -87.78 71.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.22 20.64 0.56 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.621 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 170.39 -24.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.621 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 9.7 tttm 98.81 74.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 51.9 m80 -149.38 158.53 44.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.573 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' A' ' 73' ' ' SER . 4.8 pt-20 -125.76 164.12 21.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 71' ' ' CYS . 1.2 ptp180 -164.43 141.61 6.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.517 ' NE2' ' CD2' ' A' ' 62' ' ' PHE . 80.9 t60 -87.94 96.3 10.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.506 ' HB ' ' CD1' ' A' ' 50' ' ' LEU . 26.5 mm -66.74 156.72 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.602 ' CD2' HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -166.89 91.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.529 HD23 ' CD1' ' A' ' 144' ' ' LEU . 4.4 tp -80.49 130.1 34.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.636 ' CE2' HG22 ' A' ' 69' ' ' ILE . 11.2 m-30 -105.0 155.12 19.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 3.5 m-20 -69.47 1.83 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.44 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -114.93 -34.79 1.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD12 ' CG ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -176.9 139.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 0.719 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.541 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -71.78 140.65 49.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.636 HG22 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -144.23 154.97 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 91' ' ' LYS . 26.7 p -144.17 141.09 29.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 108.287 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -104.7 127.15 52.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HA ' ' HB3' ' A' ' 59' ' ' ARG . 13.6 tttt -78.03 116.82 18.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.541 ' HA ' ' CD1' ' A' ' 88' ' ' TYR . 34.0 m -116.57 108.04 15.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -123.39 69.84 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.522 ' CD2' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -172.7 -178.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.644 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.39 -72.45 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -70.88 -53.53 8.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.488 0.758 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.4 Cg_endo -74.9 165.41 31.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 156.85 -16.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.326 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 25.2 mt -52.42 -45.66 95.14 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.05 1.86 7.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.77 -101.04 0.72 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 0.0 110.941 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 61.39 85.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.581 ' O ' ' C ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -176.86 90.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.626 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 58.7 m-80 -25.78 121.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.626 ' CB ' ' O ' ' A' ' 85' ' ' ASN . . . 93.76 44.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . 8.4 mt-10 -38.61 -44.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.35 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.541 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 12.6 m-85 -83.38 -168.36 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 1.9 ttp85 -135.46 116.33 14.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.521 ' CB ' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -68.64 142.43 55.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 70' ' ' CYS . 0.2 OUTLIER -119.49 155.81 31.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.16 120.05 36.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.63 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -125.61 74.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.482 ' CG ' HD12 ' A' ' 67' ' ' LEU . 45.2 m-85 -69.42 72.9 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.63 ' CE2' ' HB3' ' A' ' 93' ' ' LYS . 3.2 m-85 -135.48 -2.18 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.473 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -54.53 -17.26 3.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tpt85 -89.33 -13.72 37.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -176.18 130.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 3.2 m -146.35 -178.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.402 ' O ' ' HB ' ' A' ' 117' ' ' ILE . 6.7 mt-30 -162.08 91.46 0.8 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.073 . . . . 0.0 110.329 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.479 HD13 ' CD1' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -83.93 137.49 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 104' ' ' LYS . 17.6 t-20 -128.96 81.48 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.596 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 8.8 p-10 -65.18 78.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -96.37 82.08 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 10.8 t0 -144.18 172.17 13.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.783 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.3 OUTLIER -149.61 19.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.634 ' O ' ' N ' ' A' ' 109' ' ' GLU . 0.6 OUTLIER 12.51 -74.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.783 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.0 m-20 -32.36 -31.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.634 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.2 tt0 -112.57 -29.86 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.582 ' O ' ' O ' ' A' ' 107' ' ' THR . 15.3 m-30 -109.35 -166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.531 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 2.5 tptt -80.71 -93.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.531 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 1.1 t-80 -175.17 75.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.612 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.527 ' CB ' ' OG ' ' A' ' 127' ' ' SER . . . -159.71 159.55 33.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.381 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.596 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -142.87 168.23 20.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.34 126.47 45.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.617 HG13 ' CD2' ' A' ' 126' ' ' PHE . 2.4 mm -102.5 166.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 36.2 mt -155.3 109.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.591 ' CD2' ' CD2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -85.95 146.85 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -47.1 -30.85 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.567 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 4.1 t0 -54.25 -15.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 12.4 tt0 91.16 22.05 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 5.2 t30 -104.3 -178.93 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.69 161.9 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -147.47 175.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 3.1 mt -135.91 80.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.617 ' CD2' HG13 ' A' ' 116' ' ' ILE . 3.1 m-85 -76.53 159.74 30.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.527 ' OG ' ' CB ' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -143.2 112.42 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 110.06 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.646 ' HB1' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.71 175.27 5.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -128.93 -24.87 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.22 125.95 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.95 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 134' ' ' LYS . . . -49.88 -23.39 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -42.57 39.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.706 ' O ' ' N ' ' A' ' 137' ' ' TRP . 20.2 mm-40 -57.87 -53.87 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 131' ' ' ALA . 0.0 OUTLIER -53.29 -44.62 68.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 2.9 t-20 -67.07 -42.47 84.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -77.36 -17.9 57.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.785 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 39.7 m0 -78.83 -41.16 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.487 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.3 OUTLIER -87.58 -36.2 17.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -63.62 -46.56 85.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.489 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -57.08 -45.28 83.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.482 ' CB ' HG22 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.09 -41.28 74.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.568 HG21 ' CE1' ' A' ' 146' ' ' TYR . 6.4 mm -68.05 -21.06 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 139' ' ' ALA . 29.1 t -70.62 -41.62 72.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.529 ' CD1' HD23 ' A' ' 63' ' ' LEU . 16.7 mt -73.1 -63.69 1.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 146' ' ' TYR . 0.0 OUTLIER -47.23 -21.98 0.34 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.568 ' CE1' HG21 ' A' ' 142' ' ' ILE . 0.5 OUTLIER -70.53 -29.66 66.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -83.99 7.29 18.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.87 31.23 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.938 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.92 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.8 OUTLIER -106.32 -160.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.448 ' CG ' HD13 ' A' ' 150' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.687 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.543 0.211 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.487 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 8.5 p-10 -58.91 -45.53 90.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 4.6 pt-20 -81.39 3.3 24.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.557 HD12 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -118.51 -26.26 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.687 ' N ' ' O ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -68.39 -6.1 22.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.64 ' CE ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -106.82 28.57 7.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.515 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m-20 -166.02 27.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.505 ' CG1' ' HA ' ' A' ' 26' ' ' GLN . 1.5 pp -111.36 -156.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -155.33 -76.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.702 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.48 38.45 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.702 ' C ' ' O ' ' A' ' 31' ' ' GLY . 76.2 t-105 -14.45 -65.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' GLY . 2.5 mm-40 67.7 -173.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.78 99.21 0.06 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 14.2 mmtm -137.69 -46.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.2 m-20 78.03 173.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -92.58 62.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.418 ' HA2' ' N ' ' A' ' 42' ' ' ASN . . . 48.41 22.58 2.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -91.5 -31.82 15.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 0.765 . . . . 0.0 110.248 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -98.6 -33.51 10.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 108.27 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER 159.57 84.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.418 ' N ' ' HA2' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -171.63 32.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.74 110.05 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 64' ' ' PHE . 3.3 m-85 -42.32 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.478 HG13 ' HA ' ' A' ' 65' ' ' ASP . 4.2 mt -62.46 -52.0 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.263 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.478 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 0.8 OUTLIER -148.95 132.57 16.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.633 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -113.89 130.83 56.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -171.24 171.03 43.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.582 HG22 ' CD2' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -119.27 118.44 31.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.449 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.715 ' HG ' ' CH2' ' A' ' 137' ' ' TRP . 5.2 mp -111.29 136.52 50.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -95.08 134.59 37.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.451 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.1 OUTLIER -87.96 100.8 13.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.698 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.5 t -81.52 72.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -150.18 6.0 0.68 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 54' ' ' GLY . . . 162.78 35.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.463 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER 48.36 80.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 5.7 m80 -148.86 142.63 25.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.561 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' C ' ' CG ' ' A' ' 59' ' ' ARG . 31.9 tt0 -122.95 159.48 28.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.356 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.468 ' CG ' ' C ' ' A' ' 58' ' ' GLU . 10.6 mtt180 -158.47 140.55 13.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.582 ' CD2' HG22 ' A' ' 49' ' ' THR . 0.5 OUTLIER -83.96 97.05 9.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.572 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.517 ' CD1' ' SG ' ' A' ' 70' ' ' CYS . 43.9 mm -71.72 147.49 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CE1' ' CB ' ' A' ' 47' ' ' GLU . 2.7 m-85 -162.7 82.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.805 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -71.4 135.23 47.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 44' ' ' PHE . 16.2 m-85 -108.84 157.98 18.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.478 ' HA ' HG13 ' A' ' 45' ' ' ILE . 9.1 t70 -60.3 -16.41 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.31 -37.37 4.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.492 1.12 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -176.2 147.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.805 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 1.2 tmt? -71.1 139.48 50.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.574 HG23 ' CZ ' ' A' ' 64' ' ' PHE . 1.2 tp -118.36 164.34 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.517 ' SG ' ' CD1' ' A' ' 61' ' ' ILE . 5.6 t -164.08 113.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 60' ' ' HIS . 22.6 p -101.7 112.17 24.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.293 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 133.88 56.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 58' ' ' GLU . 2.8 t -130.25 104.94 7.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -133.4 -70.23 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.68 156.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.589 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.62 82.82 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.555 1.16 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.626 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 35.7 tt0 -71.89 -43.42 10.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.534 0.785 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -75.01 -166.11 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.802 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 65.82 19.57 11.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 13.1 mt -57.68 -44.32 99.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.1 Cg_endo -75.06 -1.13 10.84 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.75 71.41 0.44 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.79 128.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.546 0.792 . . . . 0.0 109.236 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.47 59.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 59.47 94.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' C ' ' A' ' 87' ' ' GLU . . . -177.86 49.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 86' ' ' ALA . 33.6 mt-10 -26.96 -50.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.515 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 2.8 m-30 -95.22 144.01 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 2.0 ttt85 -96.88 112.58 24.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.56 ' CD1' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.27 140.57 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.53 ' N ' HD21 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -127.42 136.36 51.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.402 ' OE2' ' CE2' ' A' ' 94' ' ' PHE . 20.6 tt0 -72.13 142.4 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.605 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -152.47 81.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CE2' ' OE2' ' A' ' 92' ' ' GLU . 1.4 m-85 -58.26 89.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.689 ' CD2' ' CB ' ' A' ' 68' ' ' MET . 5.7 m-30 -100.72 -48.6 4.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.459 ' N ' HD11 ' A' ' 144' ' ' LEU . 1.3 tmt? -40.04 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' PHE . 1.7 tpt180 -80.02 -51.1 9.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.115 . . . . 0.0 110.247 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.431 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -176.21 148.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.532 ' CG1' ' HA ' ' A' ' 95' ' ' PHE . 13.2 m -154.61 -178.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.3 OUTLIER -167.9 99.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -88.83 141.34 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.486 ' N ' HG13 ' A' ' 101' ' ' ILE . 3.8 t-20 -133.42 79.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.568 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 4.3 p-10 -65.04 79.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 102' ' ' ASN . 1.1 mtmt -98.33 79.32 2.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 9.9 t0 -135.77 166.43 23.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.73 ' O ' ' N ' ' A' ' 108' ' ' ASN . 27.3 m-20 -134.84 8.4 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.606 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.7 OUTLIER 19.42 -79.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.452 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.73 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.3 t30 -33.17 -32.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.9 tt0 -112.71 -27.43 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CZ ' ' OD2' ' A' ' 106' ' ' ASP . 13.4 m-30 -105.81 -167.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -84.73 -90.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.513 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -175.83 78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.479 ' HA ' ' HA ' ' A' ' 127' ' ' SER . . . -162.72 163.06 27.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.38 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.568 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -153.0 165.92 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.3 OUTLIER -93.81 133.7 36.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.586 HD12 ' CD2' ' A' ' 126' ' ' PHE . 4.9 mp -123.88 136.47 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 100' ' ' GLN . 55.4 mt -116.85 127.34 74.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.44 ' CD2' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -111.95 139.59 47.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 121' ' ' GLU . 24.8 tptt -41.63 -32.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.6 m-20 -46.03 -21.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.518 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 0.6 OUTLIER 88.25 39.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.248 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.9 157.68 44.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 2.4 p -114.72 160.46 19.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.4 t -139.74 176.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 4.3 mp -139.34 78.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.586 ' CD2' HD12 ' A' ' 116' ' ' ILE . 3.5 m-85 -74.31 165.62 24.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.553 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 39.3 m -144.35 104.11 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.678 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -102.42 147.21 27.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -111.96 -9.47 14.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.51 116.35 31.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 0.0 110.052 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.23 -32.93 4.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.71 -41.95 64.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.72 ' O ' ' N ' ' A' ' 137' ' ' TRP . 7.0 mm-40 -59.7 -44.98 93.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.48 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.5 OUTLIER -57.44 -44.29 84.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.544 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 0.2 OUTLIER -71.63 -41.31 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.42 -16.99 58.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.72 ' N ' ' O ' ' A' ' 133' ' ' GLU . 36.2 m0 -79.72 -40.25 29.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.4 OUTLIER -89.29 -34.35 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -63.1 -47.95 80.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.36 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.478 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -56.99 -44.28 82.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.522 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -64.21 -49.1 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.622 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 19.2 mm -67.64 -15.51 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 139' ' ' ALA . 3.9 t -70.67 -43.45 69.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 147' ' ' ARG . 67.8 mt -72.02 -63.73 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.392 1.057 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.444 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -46.01 -23.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.622 ' CE1' ' CG2' ' A' ' 142' ' ' ILE . 0.7 OUTLIER -71.92 -28.77 63.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.1 mtt180 -82.62 8.75 11.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.34 44.6 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 110.006 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 174.27 -34.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp -106.04 -2.33 22.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.424 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.53 0.205 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -81.01 -52.12 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.54 -18.94 64.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.639 HG13 ' CE2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -88.5 -38.21 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 22' ' ' MET . 3.2 mm100 -57.84 -17.03 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.242 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -94.93 21.67 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.448 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 58.6 t-20 -146.37 18.52 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 1.7 pp -115.41 164.58 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.483 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -106.22 -79.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -102.21 5.02 52.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 31.3 t-105 31.64 40.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 31' ' ' GLY . 1.1 pt-20 -44.69 167.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.21 -132.28 6.46 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.413 1.071 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -120.21 -42.69 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -168.48 -160.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 42' ' ' ASN . 3.0 mp -77.1 -114.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.41 ' N ' ' CG2' ' A' ' 37' ' ' ILE . . . -130.06 23.8 4.6 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.528 1.143 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -32.4 15.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.491 0.76 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 31.6 p -96.13 -38.89 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 108.306 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.553 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 3.6 p 155.94 107.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.415 1.072 . . . . 0.0 108.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 3.4 m-20 155.96 35.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -66.92 -101.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 27.1 p90 -172.23 88.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 1.7 mt -52.07 -55.59 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.466 ' SD ' ' CD2' ' A' ' 63' ' ' LEU . 14.8 ptm -123.76 130.03 51.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.78 114.18 26.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.94 160.57 33.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.13 124.82 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.751 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 4.5 mp -113.07 143.69 43.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.92 142.66 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.426 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -94.43 102.37 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.66 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.6 t -88.01 75.52 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -161.51 24.97 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.429 1.081 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.635 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 163.34 -24.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.635 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 99.15 81.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.586 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 94.2 m-70 -162.51 149.75 13.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.574 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 73' ' ' SER . 2.0 mp0 -113.81 169.15 9.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.479 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -163.09 126.91 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.435 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -73.57 104.71 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.595 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 70' ' ' CYS . 18.9 mm -77.58 134.23 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.639 ' CE2' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -149.2 82.36 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.58 ' CD1' ' CD1' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -71.55 130.83 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.374 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.589 ' CE2' HG23 ' A' ' 69' ' ' ILE . 10.4 m-30 -107.71 152.4 24.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.3 t0 -61.02 -12.77 12.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' C ' ' SD ' ' A' ' 96' ' ' MET . . . -97.05 -34.11 5.78 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.451 HD11 ' N ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -174.51 158.42 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.476 ' CE ' HD13 ' A' ' 141' ' ' LEU . 17.8 mtp -85.07 119.7 25.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.589 HG23 ' CE2' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -110.8 146.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.551 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 15.6 m -142.5 92.76 2.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 108.347 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 60' ' ' HIS . 21.0 p -79.92 130.21 35.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 108.291 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 31.3 tttt -82.77 164.61 20.51 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.685 ' HA ' ' CG ' ' A' ' 88' ' ' TYR . 16.1 p -177.81 140.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -137.87 -49.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -76.86 -83.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.533 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.07 8.78 11.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.538 1.148 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.414 ' N ' ' HD3' ' A' ' 78' ' ' PRO . 1.1 tt0 -152.44 63.29 4.94 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.3 Cg_endo -75.01 175.7 10.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 157.05 -15.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.269 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -63.48 -52.04 62.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.0 1.56 7.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.544 1.813 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.08 117.52 2.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.22 96.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 0.774 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 85' ' ' ASN . 91.0 p -131.31 6.26 4.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 84' ' ' SER . 0.8 OUTLIER 35.14 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 1.095 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . -154.72 39.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 19.4 mt-10 37.12 -59.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 1.095 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -147.39 -73.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 175.43 152.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.513 ' HB3' ' HA ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -85.01 133.93 34.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -116.53 91.75 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.84 135.43 56.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.627 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 24.7 mttt -135.99 76.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 37.9 p90 -69.74 76.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 118' ' ' LEU . 10.8 m-85 -129.98 -4.69 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.506 ' HG3' ' N ' ' A' ' 97' ' ' ARG . 2.5 ptt? -47.23 -34.47 6.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.506 ' N ' ' HG3' ' A' ' 96' ' ' MET . 0.0 OUTLIER -64.22 -16.57 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -174.97 116.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 8.4 m -137.89 -178.07 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -168.96 115.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -100.5 135.85 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.6 m120 -126.56 80.39 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.184 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.572 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 16.9 p-10 -61.68 80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' ASN . 9.1 tttp -98.99 79.76 2.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 13.6 t0 -137.0 170.72 15.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.772 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -144.25 15.27 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.4 OUTLIER 13.64 -75.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.423 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.772 ' N ' ' O ' ' A' ' 106' ' ' ASP . 13.2 t30 -31.47 -32.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.645 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.0 OUTLIER -113.47 -31.2 6.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.585 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.0 m-30 -104.52 -170.02 1.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.464 ' HZ3' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -84.26 -89.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -173.78 78.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.605 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 127' ' ' SER . . . -157.78 160.34 37.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.572 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -148.41 166.36 28.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 15.7 pt-20 -94.94 130.01 41.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.623 HG13 ' CD2' ' A' ' 126' ' ' PHE . 2.7 mm -104.32 167.98 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' GLN . 58.5 mt -151.73 101.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.7 ' CD1' ' CE2' ' A' ' 95' ' ' PHE . 2.3 pp -109.03 163.16 13.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -46.59 176.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 69.61 6.14 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 57.09 75.53 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.51 138.12 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.24 150.47 34.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.927 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 115' ' ' GLU . 0.9 OUTLIER -127.99 174.71 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.524 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 3.2 mt -134.68 79.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.623 ' CD2' HG13 ' A' ' 116' ' ' ILE . 3.0 m-85 -76.48 158.71 31.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.538 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 18.1 m -139.47 104.48 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.071 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.769 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -105.31 141.51 36.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 0.0 109.384 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 -8.43 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 m -106.27 113.7 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.949 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -46.57 -34.34 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -43.34 67.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.741 ' O ' ' N ' ' A' ' 137' ' ' TRP . 21.0 mt-10 -60.45 -42.73 96.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -56.71 -42.92 80.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 32.6 t30 -76.28 -40.55 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.15 -15.84 59.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.769 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 34.1 m0 -80.82 -44.05 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.478 ' HE3' ' CA ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -83.53 -37.58 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.62 -46.48 88.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.46 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -59.03 -42.22 89.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -65.46 -47.72 75.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.493 HG23 ' CE2' ' A' ' 146' ' ' TYR . 24.8 mm -68.46 -17.24 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.0 t -69.21 -43.95 73.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.924 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.58 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 68.3 mt -69.13 -59.77 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.466 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 2.7 pp0? -46.98 -23.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.493 ' CE2' HG23 ' A' ' 142' ' ' ILE . 0.1 OUTLIER -76.52 -34.84 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -81.94 47.8 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.12 27.12 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -171.07 -39.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.6 OUTLIER -89.45 -160.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.414 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.513 0.197 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -72.87 -55.63 6.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.224 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -18.71 16.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.589 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -84.67 -32.63 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.455 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 33.9 mt-30 -64.12 -15.24 59.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.49 44.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.576 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 1.3 t-20 -168.87 -31.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 30' ' ' ASP . 2.4 pp -58.54 -145.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 12.2 t70 -158.4 -52.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.71 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -133.68 29.32 3.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.416 1.073 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.71 ' C ' ' O ' ' A' ' 31' ' ' GLY . 9.9 t-105 -12.2 85.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.633 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 31.33 -154.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -128.72 113.81 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 36' ' ' ASP . 6.3 mmtt 42.75 90.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.414 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 35' ' ' LYS . 1.3 m-20 47.39 -173.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.328 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.421 ' CG2' ' HA3' ' A' ' 66' ' ' GLY . 77.4 mt -126.08 -66.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.68 -19.97 28.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 75.07 29.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.274 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 174.83 -31.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 108.302 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.8 m -87.81 -102.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 108.321 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 50.09 22.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 45' ' ' ILE . 3.2 mm-40 -85.29 101.24 12.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 31.7 p90 -37.94 98.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 65' ' ' ASP . 32.8 mt -50.03 -59.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.515 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 0.6 OUTLIER -138.23 129.98 28.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -107.62 129.76 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.09 163.37 37.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.554 HG22 ' CG ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -116.29 117.92 31.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.765 ' HG ' ' CZ3' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -119.17 152.72 36.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.22 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.57 128.21 46.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' HIS . 13.2 ttt180 -80.26 90.59 5.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.602 ' CG1' ' CG2' ' A' ' 125' ' ' ILE . 1.2 t -64.37 176.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.597 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 81.35 -5.61 67.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -147.17 -36.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.5 OUTLIER 88.7 68.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' ARG . 53.9 m-70 -149.02 149.11 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.619 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -98.48 163.32 12.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.543 ' CA ' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -162.59 117.45 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.554 ' CG ' HG22 ' A' ' 49' ' ' THR . 0.2 OUTLIER -68.21 87.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.596 ' CG1' HD11 ' A' ' 50' ' ' LEU . 29.5 mm -57.48 145.49 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.589 ' CZ ' HD13 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -164.54 80.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.52 HD12 ' CD1' ' A' ' 144' ' ' LEU . 5.7 tp -70.32 115.61 9.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 62' ' ' PHE . 18.7 m-30 -92.36 145.4 24.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.574 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 0.3 OUTLIER -55.09 -14.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.575 ' O ' ' CD2' ' A' ' 67' ' ' LEU . . . -94.02 -45.05 3.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD2' ' O ' ' A' ' 66' ' ' GLY . 83.2 mt -161.0 146.41 14.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.436 ' CG ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.7 100.28 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.088 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.468 HG21 ' CD2' ' A' ' 90' ' ' LEU . 2.0 mm -93.96 147.69 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 1.6 p -149.49 106.39 3.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.543 ' O ' ' CA ' ' A' ' 59' ' ' ARG . 6.4 m -75.75 127.4 32.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 108.323 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.539 ' CG ' ' NH1' ' A' ' 59' ' ' ARG . 4.1 mtpm? -96.36 118.16 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.516 ' OG ' ' CD2' ' A' ' 88' ' ' TYR . 7.3 m -117.65 130.36 56.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.403 HD21 ' CE1' ' A' ' 57' ' ' HIS . 6.4 m120 -124.42 -41.09 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 176.54 134.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 109.648 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -93.35 59.9 2.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.392 1.058 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -80.08 -53.35 0.95 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 0.754 . . . . 0.0 110.35 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.1 Cg_endo -75.05 -172.69 1.33 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.467 ' NH1' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER 79.57 9.92 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 4.2 mt -55.49 -44.41 99.63 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.01 -1.21 10.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.442 ' HA2' ' CZ ' ' A' ' 79' ' ' ARG . . . 56.32 98.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.568 1.167 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -163.63 123.76 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER 87.52 -14.85 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.177 . . . . 0.0 110.016 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 84' ' ' SER . 71.7 m-80 32.6 88.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 87' ' ' GLU . . . -173.2 50.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 86' ' ' ALA . 13.9 mt-10 -27.66 -53.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.576 ' CG ' ' OD1' ' A' ' 28' ' ' ASN . 2.8 m-30 -88.25 -142.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' LYS . 12.6 ttp180 -149.29 156.07 41.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.16 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.586 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.4 OUTLIER -112.99 138.72 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.401 ' N ' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -122.78 130.71 53.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.07 123.98 34.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 20.4 mttt -131.75 79.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 4.7 m-85 -62.67 79.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 93' ' ' LYS . 44.4 m-85 -144.02 7.94 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.493 ' HA ' HD11 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -61.7 -10.5 8.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 1.183 . . . . 0.0 111.015 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.13 -0.82 20.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.43 ' HB3' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -175.14 131.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.544 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 3.1 m -152.53 -175.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.6 mt-30 -168.66 82.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.468 HD13 ' CD1' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -76.68 144.69 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' LYS . 0.5 OUTLIER -133.85 84.05 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.618 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 51.5 p-10 -63.18 78.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -103.9 78.45 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 6.0 t70 -154.39 -159.3 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.545 ' O ' ' OG1' ' A' ' 107' ' ' THR . 0.1 OUTLIER 162.59 -24.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.393 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.545 ' OG1' ' O ' ' A' ' 106' ' ' ASP . 1.3 p 71.69 -6.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.435 ' H ' ' C ' ' A' ' 106' ' ' ASP . 7.4 m-20 -62.37 -6.52 3.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 107' ' ' THR . 4.2 tt0 -157.24 -20.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -108.86 -171.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -75.77 -88.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.541 ' CG ' HG23 ' A' ' 107' ' ' THR . 1.6 t-80 -178.01 79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.521 ' CB ' ' OG ' ' A' ' 127' ' ' SER . . . -167.27 148.35 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.684 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -115.48 174.49 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 118.8 37.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.522 ' N ' ' CD1' ' A' ' 116' ' ' ILE . 1.1 mm -95.47 157.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 100' ' ' GLN . 40.2 mt -150.86 110.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -110.56 178.0 4.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 118' ' ' LEU . 2.3 tptp -54.18 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.2 t70 45.73 23.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 42.38 83.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.476 ' CB ' HD13 ' A' ' 118' ' ' LEU . 15.6 m-20 -149.47 155.3 40.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -132.33 164.96 25.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.99 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.77 179.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.602 ' CG2' ' CG1' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -142.83 87.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 50' ' ' LEU . 17.4 m-30 -87.26 135.4 33.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.521 ' OG ' ' CB ' ' A' ' 113' ' ' ALA . 62.4 m -109.02 117.32 33.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.768 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -118.6 144.29 46.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -115.28 0.84 13.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.43 111.99 22.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.113 . . . . 0.0 110.067 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.21 -38.06 5.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.378 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -41.9 68.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.741 ' O ' ' N ' ' A' ' 137' ' ' TRP . 15.5 mm-40 -59.22 -48.82 80.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -54.45 -44.74 72.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.573 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 3.8 t-20 -70.53 -41.78 72.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -17.1 59.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.768 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 38.1 m0 -79.27 -39.48 32.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.034 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.3 OUTLIER -91.24 -35.89 14.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -58.64 -49.46 77.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -57.49 -40.12 77.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.442 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -69.11 -46.18 68.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.1 mm -67.08 -20.22 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -48.83 68.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.52 ' CD1' HD12 ' A' ' 63' ' ' LEU . 82.4 mt -71.45 -57.16 4.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 99' ' ' VAL . 1.2 tm0? -43.34 -25.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.514 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -78.21 -38.33 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.383 1.052 . . . . 0.0 111.001 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 144' ' ' LEU . 25.3 mtt-85 -78.94 49.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.64 25.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.72 -37.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 110.406 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER -78.88 -158.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.542 0.21 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.506 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 5.1 p30 -69.51 -35.23 75.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -87.28 -11.27 50.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -100.87 -33.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.466 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.1 mt-30 -47.71 -30.61 3.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -91.22 36.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.643 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -167.57 24.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.479 ' CD1' ' N ' ' A' ' 30' ' ' ASP . 1.9 pp -119.48 -132.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -167.44 -82.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.584 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -101.37 10.96 58.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.584 ' C ' ' O ' ' A' ' 31' ' ' GLY . 63.5 t-105 28.09 -98.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' GLY . 11.0 mm-40 48.21 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.22 -130.15 9.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -74.27 -83.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.285 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -165.45 -162.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.81 62.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.87 8.43 86.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -85.07 -32.84 22.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.749 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -108.23 -31.13 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.293 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER 158.14 119.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 108.327 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.452 ' OD1' ' CD2' ' A' ' 64' ' ' PHE . 53.6 t30 -159.66 25.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -72.12 94.12 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' GLU . 28.1 m-85 -34.79 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.536 HG23 ' CG ' ' A' ' 46' ' ' MET . 1.4 mt -59.1 -69.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.536 ' CG ' HG23 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -126.69 143.01 51.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . 4.6 mp0 -118.01 123.1 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -169.51 156.44 27.45 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.601 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -110.13 129.91 55.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 110.376 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.728 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 2.0 mp -126.29 156.75 39.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.409 ' OG1' ' CG ' ' A' ' 58' ' ' GLU . 0.8 OUTLIER -112.63 138.1 49.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 7.9 ttp85 -89.31 94.16 9.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.639 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.6 t -81.26 78.37 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -171.11 29.11 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.649 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 162.32 -22.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.4 0.706 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.649 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 100.15 78.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.44 ' O ' ' N ' ' A' ' 52' ' ' ARG . 67.6 m-70 -141.85 135.41 29.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.072 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.409 ' CG ' ' OG1' ' A' ' 51' ' ' THR . 60.4 tt0 -143.04 139.92 30.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.763 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -175.69 -175.04 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.525 ' ND1' ' CE1' ' A' ' 62' ' ' PHE . 1.6 t-80 -92.51 147.1 23.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.58 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.501 ' HB ' ' CD1' ' A' ' 50' ' ' LEU . 37.1 mm -123.2 119.04 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 47' ' ' GLU . 64.2 m-85 -124.66 110.11 13.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.632 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.2 OUTLIER -92.2 129.03 38.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.539 ' CE2' ' HB ' ' A' ' 69' ' ' ILE . 4.0 m-85 -97.93 156.51 16.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.484 ' CA ' HG13 ' A' ' 45' ' ' ILE . 1.5 t0 -65.22 -11.79 44.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' ' 41' ' ' CYS . . . -101.53 -32.61 5.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -176.75 139.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.632 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -78.64 115.32 18.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.539 ' HB ' ' CE2' ' A' ' 64' ' ' PHE . 17.4 mm -108.52 118.68 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 14.4 p -103.23 117.34 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 108.355 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.763 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 2.7 m -97.69 99.18 10.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.35 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.603 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 30.9 mttt -91.28 155.49 18.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.498 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . 14.1 t -147.6 133.4 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 56' ' ' LYS . 23.0 t-20 -125.76 167.82 14.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -43.0 123.76 2.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.548 1.155 . . . . 0.0 109.588 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.95 -145.35 17.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.439 ' N ' ' HD3' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -172.84 62.88 0.29 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 110.256 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.4 Cg_endo -75.01 168.38 24.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.532 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 155.35 -18.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.579 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -50.34 -47.69 82.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.98 1.94 7.17 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -123.81 -119.55 2.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.118 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.97 -166.85 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 41.4 t -106.55 41.02 1.51 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.465 ' CB ' ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER 161.4 44.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.529 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . -115.08 62.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 86' ' ' ALA . 19.8 mt-10 -32.95 -58.88 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.656 ' CE2' ' NE ' ' A' ' 59' ' ' ARG . 1.6 m-30 -74.04 -168.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -143.85 117.99 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.548 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.98 152.09 44.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.409 ' N ' HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -136.6 116.26 12.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 11.4 pt-20 -59.45 116.17 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.62 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 6.6 mmtm -132.11 83.47 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -59.47 78.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.631 ' CE2' ' CE ' ' A' ' 68' ' ' MET . 6.6 m-30 -92.06 -46.01 8.01 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.471 ' HA ' ' CD2' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -41.37 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -81.36 -51.09 8.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG3' ' CB ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -173.42 149.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.559 HG13 ' CG ' ' A' ' 95' ' ' PHE . 14.0 m -155.33 -176.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' ILE . 2.1 tt0 -167.64 85.49 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.487 HD13 ' CD1' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -74.58 141.4 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.46 ' N ' HG13 ' A' ' 101' ' ' ILE . 1.7 t30 -134.98 90.94 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.621 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 13.2 p-10 -67.37 79.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -99.05 79.61 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -138.31 171.92 13.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.748 ' O ' ' N ' ' A' ' 108' ' ' ASN . 1.3 t70 -140.89 12.55 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.654 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.6 OUTLIER 13.34 -76.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.748 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.7 m120 -31.42 -32.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.6 tt0 -112.01 -31.14 7.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.573 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.1 m-30 -105.26 -166.89 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -92.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.455 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -174.73 79.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.581 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.487 ' CB ' ' OG ' ' A' ' 127' ' ' SER . . . -162.66 152.63 16.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.621 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -136.97 169.97 16.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.2 OUTLIER -96.77 122.17 39.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 110.331 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.487 ' CD1' HD13 ' A' ' 101' ' ' ILE . 2.0 mm -104.28 148.14 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 100' ' ' GLN . 1.9 mp -132.36 134.99 58.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.595 HD21 ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -123.11 134.96 54.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.5 ' CB ' ' HG3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -45.71 -25.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 24.4 t0 -52.1 -16.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 5.4 mt-10 87.4 46.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -151.24 159.95 44.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -124.21 163.05 22.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.95 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.62 176.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.493 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 5.3 mp -140.19 80.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.689 ' CD2' ' CD2' ' A' ' 50' ' ' LEU . 11.6 m-30 -75.03 156.62 35.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.528 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 37.1 m -138.83 112.11 8.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.623 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -110.65 158.49 18.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -118.78 -8.67 10.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.508 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -112.79 114.92 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.952 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.16 -35.6 3.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -39.97 79.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.684 ' HB3' ' NE1' ' A' ' 137' ' ' TRP . 4.2 mm-40 -61.28 -45.14 95.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.419 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 3.5 ttpt -57.9 -38.41 75.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.459 ' O ' ' HG3' ' A' ' 138' ' ' MET . 2.0 t-20 -78.58 -38.36 40.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -77.91 -19.06 55.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.389 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.728 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 41.3 m0 -78.74 -46.33 19.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -77.64 -39.75 44.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -59.71 -42.02 92.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.402 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -63.98 -43.88 94.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.583 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -64.03 -45.5 88.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.441 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 13.9 mm -70.39 -15.36 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.75 -42.41 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.501 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 62.0 mt -70.13 -63.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.394 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -22.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.516 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -73.02 -27.81 61.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 111.006 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 144' ' ' LEU . 6.6 mpt_? -92.12 25.28 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.46 31.19 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.054 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.78 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.8 OUTLIER -98.85 -160.69 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.701 ' O ' ' N ' ' A' ' 26' ' ' GLN . 5.8 ptp . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.495 0.188 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.548 ' N ' ' CG ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -67.24 -53.2 32.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.29 -4.14 24.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.489 ' O ' HG13 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -117.36 -17.42 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.359 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.701 ' N ' ' O ' ' A' ' 22' ' ' MET . 6.5 pt20 -51.54 -17.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.501 ' HE3' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -96.57 38.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -177.52 30.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.649 ' CG1' ' HA ' ' A' ' 26' ' ' GLN . 1.6 pp -136.83 -145.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.468 ' H ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -157.59 -81.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.44 19.34 29.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.564 ' C ' ' O ' ' A' ' 31' ' ' GLY . 57.3 t-105 29.46 -95.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER 174.9 -173.98 0.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . -116.9 -173.99 16.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 6.3 mptt 66.42 -75.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 3.1 m-20 154.4 145.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 41' ' ' CYS . 3.2 mt -134.59 -45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.375 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' HA2' ' CB ' ' A' ' 42' ' ' ASN . . . -77.54 2.61 62.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.123 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -100.55 -17.27 17.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.229 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -152.3 25.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.227 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER 177.8 -158.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.278 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 54.9 t30 79.22 29.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -8.09 34.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER 55.16 102.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.974 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.583 ' CD1' ' CD2' ' A' ' 144' ' ' LEU . 15.5 mt -78.17 -72.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mtp -139.71 133.4 30.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.591 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -110.22 116.67 31.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 61' ' ' ILE . . . -148.49 160.79 28.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.439 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.5 OUTLIER -113.06 116.17 29.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.743 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 2.6 mp -118.18 146.02 44.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -98.35 143.49 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.482 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' N ' HG21 ' A' ' 51' ' ' THR . 2.4 ptm85 -99.98 105.45 17.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.55 ' HB ' ' CG2' ' A' ' 125' ' ' ILE . 3.3 t -71.44 -176.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.468 ' H ' ' CG1' ' A' ' 53' ' ' VAL . . . 76.38 1.46 70.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.532 ' O ' ' CD ' ' A' ' 56' ' ' LYS . . . -156.7 -40.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.532 ' CD ' ' O ' ' A' ' 55' ' ' ALA . 0.7 OUTLIER 89.71 78.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.357 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.561 ' CE1' ' ND2' ' A' ' 74' ' ' ASN . 73.0 t60 -153.61 153.18 31.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 1.5 mt-10 -105.87 159.03 16.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.52 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 7.5 ptm180 -160.42 112.77 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.591 1.182 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.594 ' CB ' ' CD2' ' A' ' 88' ' ' TYR . 18.2 t60 -66.01 92.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.591 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.549 ' CG1' HD11 ' A' ' 50' ' ' LEU . 48.8 mm -62.0 155.33 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -170.34 82.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.486 ' CD1' HD13 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -71.51 125.09 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.426 ' HE1' ' CD1' ' A' ' 62' ' ' PHE . 7.7 m-30 -98.0 157.0 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.539 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 6.7 t0 -69.27 -0.83 6.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.05 -28.36 3.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD13 ' C ' ' A' ' 68' ' ' MET . 0.5 OUTLIER -174.16 174.75 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.404 ' C ' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -89.76 104.79 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.4 mm -100.34 131.8 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 5.7 m -136.31 111.92 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.278 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 60' ' ' HIS . 0.8 OUTLIER -90.97 103.37 16.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 108.281 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 2.0 ptmt -59.68 151.13 25.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.489 ' O ' ' CE1' ' A' ' 57' ' ' HIS . 35.0 t -140.87 124.4 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.192 . . . . 0.0 110.01 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.561 ' ND2' ' CE1' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -116.24 -155.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.83 51.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.624 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.19 -69.79 0.44 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -147.84 65.54 9.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.3 Cg_endo -75.01 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER 85.13 14.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 37.3 mt -56.71 -44.78 99.9 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.93 -0.66 10.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 83' ' ' ALA . . . 97.71 -53.62 1.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 82' ' ' GLY . . . 167.63 103.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 86' ' ' ALA . 14.5 m -127.44 22.89 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.936 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 12.2 m120 39.31 31.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . -107.92 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -32.22 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.594 ' CD2' ' CB ' ' A' ' 60' ' ' HIS . 1.1 m-85 -118.01 143.88 46.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -88.17 120.35 29.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.534 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.3 OUTLIER -57.6 142.52 44.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -133.25 130.95 39.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -85.16 116.37 23.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.487 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 1.7 mmtt -133.5 75.68 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 12.2 p90 -76.66 75.03 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.701 ' CD2' ' CD1' ' A' ' 118' ' ' LEU . 3.7 m-85 -138.01 -0.16 2.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.439 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.62 -36.13 44.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -62.37 -6.86 3.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 95' ' ' PHE . 8.0 tttt -171.44 105.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.477 HG22 ' CG ' ' A' ' 141' ' ' LEU . 1.5 m -138.88 161.81 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 117' ' ' ILE . 5.2 mt-30 -147.17 128.62 14.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.511 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -116.1 143.09 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.511 ' N ' HG13 ' A' ' 101' ' ' ILE . 9.2 t-20 -148.86 117.06 6.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.645 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 17.8 p-10 -76.64 78.49 3.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 77.16 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 34.4 t70 -158.22 -51.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.608 ' CB ' ' O ' ' A' ' 105' ' ' ASP . 16.0 t0 90.9 -172.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.527 ' O ' ' O ' ' A' ' 110' ' ' TYR . 6.4 p -152.1 -61.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' THR . 3.0 t30 -39.89 -27.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.483 ' N ' ' C ' ' A' ' 107' ' ' THR . 9.2 tt0 -124.49 -14.36 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.666 ' CG ' ' O ' ' A' ' 105' ' ' ASP . 5.1 m-85 -125.96 -168.47 1.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.512 ' O ' HG21 ' A' ' 107' ' ' THR . 3.4 tttt -79.87 -94.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.524 ' O ' ' HA ' ' A' ' 127' ' ' SER . 5.7 p-80 174.17 78.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 126' ' ' PHE . . . -138.0 164.39 29.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.657 ' CD1' ' O ' ' A' ' 126' ' ' PHE . 0.0 OUTLIER -139.5 152.23 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 102' ' ' ASN . 2.2 mt-10 -84.72 101.85 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' ' 126' ' ' PHE . 1.0 OUTLIER -89.58 107.06 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 100' ' ' GLN . 58.6 mt -101.24 86.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.244 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.701 ' CD1' ' CD2' ' A' ' 95' ' ' PHE . 3.4 pp -90.26 161.11 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 118' ' ' LEU . 17.6 tttp -45.37 175.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.069 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 119' ' ' LYS . 8.1 t0 76.37 -0.33 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.89 60.65 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -137.85 124.77 21.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.1 p -100.76 150.23 23.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.066 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -134.71 -179.94 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.55 ' CG2' ' HB ' ' A' ' 53' ' ' VAL . 7.4 mm -138.62 79.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.657 ' O ' ' CD1' ' A' ' 114' ' ' PHE . 10.2 m-30 -73.95 124.25 25.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.524 ' HA ' ' O ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -103.64 113.32 26.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.015 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.799 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -114.76 132.29 56.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.168 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -106.62 19.47 20.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 133' ' ' GLU . 1.0 OUTLIER -131.66 110.74 11.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -45.58 -37.19 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -37.49 68.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.805 ' O ' ' N ' ' A' ' 137' ' ' TRP . 18.0 mt-10 -62.33 -51.3 68.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 0.1 OUTLIER -52.32 -43.78 64.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.391 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 138' ' ' MET . 0.7 OUTLIER -69.31 -47.54 64.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -76.19 -13.35 60.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.805 ' N ' ' O ' ' A' ' 133' ' ' GLU . 32.6 m0 -83.44 -43.36 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 108.059 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.3 OUTLIER -82.91 -35.33 26.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -65.18 -43.76 90.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.72 94.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.532 ' CD2' ' CG2' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -70.68 -46.75 62.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 18.6 mm -66.82 -20.23 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 139' ' ' ALA . 2.4 m -70.17 -44.18 69.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.583 ' CD2' ' CD1' ' A' ' 45' ' ' ILE . 73.7 mt -70.38 -58.39 3.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.424 ' HB3' HG21 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -47.75 -23.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.506 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.4 OUTLIER -75.47 -29.95 59.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.3 OUTLIER -83.95 45.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.4 27.03 2.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -172.16 -38.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER -83.27 -161.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.431 ' N ' ' CD1' ' A' ' 150' ' ' LEU . 1.1 tp10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.537 ' O ' ' CB ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.513 0.197 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 7.8 p30 -77.62 -41.13 39.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.439 ' C ' ' HE3' ' A' ' 27' ' ' LYS . 12.4 pt-20 -88.88 1.1 55.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.547 HD13 ' CE1' ' A' ' 44' ' ' PHE . 21.8 mt -121.03 -24.0 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.581 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -47.61 -19.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HE3' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -101.28 40.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -178.35 26.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.581 ' CG1' ' HA ' ' A' ' 26' ' ' GLN . 1.3 pp -122.5 -151.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.46 ' N ' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -153.67 -79.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.607 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -117.98 23.68 9.22 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.607 ' C ' ' O ' ' A' ' 31' ' ' GLY . 47.9 t-105 25.68 -95.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' GLY . 1.8 tt0 -174.02 -163.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.69 -144.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.442 1.089 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -55.24 -18.24 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 0.795 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.3 m-20 -38.46 149.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.556 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -136.37 -46.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.46 39.68 0.02 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.418 1.074 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -122.47 -5.07 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.737 . . . . 0.0 110.367 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 41' ' ' CYS . 15.1 m -111.43 -16.69 13.27 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.417 1.073 . . . . 0.0 108.264 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 40' ' ' CYS . 27.0 p 175.91 98.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 0.0 108.288 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -175.8 31.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -86.06 -8.86 57.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 57.79 71.98 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.544 HG23 ' CG ' ' A' ' 46' ' ' MET . 0.3 OUTLIER -67.54 -72.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.544 ' CG ' HG23 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -130.54 115.93 17.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.509 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 2.3 pt-20 -101.01 123.89 45.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.11 161.23 34.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.412 ' HB ' ' ND1' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -116.07 116.65 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.349 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.759 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 3.7 mp -110.88 140.88 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -93.09 137.24 32.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 6.8 ttp-105 -88.24 107.75 18.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.671 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 1.4 t -92.34 76.26 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -162.19 24.24 0.22 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.632 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 163.55 -23.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER 98.75 82.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 82.3 m-70 -164.04 143.75 7.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.56 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 73' ' ' SER . 20.6 tt0 -111.21 167.79 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.436 ' NH2' ' CG1' ' A' ' 124' ' ' VAL . 4.6 ptt180 -163.09 123.62 2.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 71' ' ' CYS . 0.3 OUTLIER -71.42 95.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.574 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.546 ' CG1' HD11 ' A' ' 50' ' ' LEU . 41.4 mm -63.65 153.99 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.384 1.052 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 61' ' ' ILE . 10.0 m-85 -168.06 84.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.56 ' CD1' ' CD1' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -77.15 131.9 38.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.367 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CE2' HG13 ' A' ' 69' ' ' ILE . 17.5 m-30 -103.05 160.77 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 111.022 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.501 ' CA ' HG13 ' A' ' 45' ' ' ILE . 2.4 t0 -73.0 5.34 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -119.38 -29.89 1.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.455 HD11 ' CA ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -176.43 161.16 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.243 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.501 ' CB ' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -79.52 123.21 27.36 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.563 HG13 ' CE2' ' A' ' 64' ' ' PHE . 18.2 mm -121.64 122.89 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.512 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 8.3 m -120.22 133.86 55.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 108.299 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 60' ' ' HIS . 2.3 m -107.97 121.53 44.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 108.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.17 133.01 42.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.459 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . 58.3 p -128.9 122.33 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -146.99 125.25 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.4 167.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.666 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 77' ' ' GLN . . . 175.43 178.99 45.7 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.541 1.151 . . . . 0.0 111.059 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.453 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 1.0 OUTLIER 165.35 -54.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -75.04 -161.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.41 29.21 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 4.2 mt -54.19 -46.55 98.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.92 -1.82 11.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 81' ' ' PRO . . . 42.31 95.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 84' ' ' SER . . . -164.75 -148.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.476 ' O ' ' ND2' ' A' ' 85' ' ' ASN . 9.5 m -37.87 117.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 84' ' ' SER . 0.4 OUTLIER 161.68 123.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.583 ' O ' ' C ' ' A' ' 87' ' ' GLU . . . -94.53 41.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.583 ' C ' ' O ' ' A' ' 86' ' ' ALA . 10.5 mt-10 -22.85 -56.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.357 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.459 ' CD1' ' CB ' ' A' ' 73' ' ' SER . 2.9 m-85 -94.9 149.29 21.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.455 ' CZ ' ' OD2' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -97.34 124.5 41.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.535 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -57.67 153.27 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -139.37 125.04 19.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.51 116.69 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 9.8 mttt -132.66 76.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.455 ' CA ' HD11 ' A' ' 67' ' ' LEU . 4.8 p90 -76.35 76.53 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.609 ' CD2' HD11 ' A' ' 118' ' ' LEU . 12.4 m-85 -132.95 -7.25 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.516 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.8 OUTLIER -49.9 -38.85 37.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 111.052 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.475 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -60.63 -11.53 7.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.494 ' CG ' ' OE1' ' A' ' 145' ' ' GLN . 12.3 tttt -175.15 90.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 141' ' ' LEU . 5.5 m -110.2 -179.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -167.34 104.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.401 HG22 ' CA ' ' A' ' 138' ' ' MET . 0.2 OUTLIER -94.74 135.91 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.378 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.6 m-20 -126.77 77.57 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.625 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 3.6 p-10 -59.98 82.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.484 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . 9.8 tptt -90.0 77.54 6.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 106' ' ' ASP . 2.9 t70 -152.03 -148.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 105' ' ' ASP . 4.7 m-20 151.72 -9.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 106' ' ' ASP . 61.2 p 51.44 -146.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.591 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 3.2 m-80 45.55 18.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 108' ' ' ASN . 2.2 mt-10 -176.96 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -98.7 -169.79 1.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.628 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -84.02 -94.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.39 1.056 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.672 ' CD2' ' O ' ' A' ' 112' ' ' HIS . 0.6 OUTLIER -178.88 75.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' A' ' 127' ' ' SER . . . -157.3 168.81 26.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.625 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -156.87 161.77 39.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.484 ' HG3' ' CB ' ' A' ' 104' ' ' LYS . 0.4 OUTLIER -90.88 130.99 36.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.662 HG13 ' CD2' ' A' ' 126' ' ' PHE . 2.7 mm -110.21 169.02 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' GLN . 29.9 mt -154.81 94.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.772 ' O ' ' O ' ' A' ' 119' ' ' LYS . 0.7 OUTLIER -101.4 104.34 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.772 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER 23.4 -152.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' A' ' 119' ' ' LYS . 22.3 t0 26.55 36.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 119' ' ' LYS . 5.3 tt0 33.3 36.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.521 ' CB ' HD13 ' A' ' 118' ' ' LEU . 5.7 m-20 -100.39 122.3 42.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -102.63 166.32 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.436 ' CG1' ' NH2' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -146.36 173.98 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.247 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 2.9 mp -134.64 78.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.662 ' CD2' HG13 ' A' ' 116' ' ' ILE . 2.9 m-85 -72.21 164.47 26.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.567 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 67.7 m -143.69 99.3 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.741 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.72 148.37 25.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -118.87 -6.51 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.554 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 3.3 t -107.28 111.94 24.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -43.05 -36.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -70.91 -46.21 62.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.724 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 5.9 mm-40 -60.72 -38.48 85.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -63.07 -36.76 84.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 21.1 t-20 -82.81 -36.74 25.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 132' ' ' GLU . 0.8 OUTLIER -76.96 -26.13 53.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.759 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 40.2 m0 -70.05 -50.31 42.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 108.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 1.1 ppp? -74.25 -39.96 62.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.92 -40.77 98.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.422 ' HB3' ' SD ' ' A' ' 46' ' ' MET . . . -59.99 -46.84 88.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.532 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.5 OUTLIER -67.0 -48.63 67.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.54 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 2.7 mm -64.04 -19.75 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -68.37 -42.76 78.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.56 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 82.2 mt -71.86 -63.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.494 ' OE1' ' CG ' ' A' ' 98' ' ' LYS . 37.4 tp60 -44.06 -24.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.54 ' CD2' ' O ' ' A' ' 142' ' ' ILE . 0.1 OUTLIER -73.65 -40.35 63.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.2 mtp180 -79.28 50.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.63 33.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.5 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.444 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.2 pp -79.32 -158.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.41 ' N ' ' CD1' ' A' ' 150' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.506 0.193 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -69.65 -42.78 73.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.222 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -76.63 -14.04 60.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.49 HG22 ' CG2' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -96.47 -34.31 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.636 ' NE2' ' HZ3' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -51.5 -19.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HZ3' ' NE2' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -121.65 30.74 6.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.567 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 2.2 t-20 -137.43 -34.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.577 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.7 pp -54.24 -156.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -142.81 -76.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.559 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.0 23.45 23.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.559 ' C ' ' O ' ' A' ' 31' ' ' GLY . 66.7 t-105 28.8 -99.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' GLY . 2.6 mt-10 167.14 -163.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 33' ' ' GLU . . . -44.85 171.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -21.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' GLY . 5.9 m-20 -132.93 -169.25 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.551 ' CD1' ' N ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -138.82 71.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA3' ' SG ' ' A' ' 41' ' ' CYS . . . 111.93 -27.66 10.1 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.455 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 32.8 mt-30 74.0 8.92 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.779 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 39' ' ' GLN . 0.1 OUTLIER 162.78 33.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.268 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.452 ' O ' ' O ' ' A' ' 37' ' ' ILE . 1.4 p -173.42 -167.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 37' ' ' ILE . 2.6 t30 56.58 40.52 29.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -73.79 -102.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' A' ' 47' ' ' GLU . 2.7 t80 -154.81 106.07 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.523 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 0.9 OUTLIER -82.85 -78.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.457 ' HG3' HG23 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -134.39 137.65 44.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.58 ' HB3' ' CE2' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -107.52 116.64 32.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -159.17 165.66 34.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.087 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.55 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -123.36 121.17 35.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 0.731 . . . . 0.0 110.37 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.706 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 2.9 mp -112.84 146.68 38.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.549 ' CG2' ' HB3' ' A' ' 127' ' ' SER . 0.9 OUTLIER -91.68 137.76 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.388 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -91.51 80.58 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.605 ' CG1' ' N ' ' A' ' 54' ' ' GLY . 1.0 OUTLIER -58.59 173.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.605 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 100.85 -1.98 55.47 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -172.13 -76.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 5.3 ptmt 160.25 71.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -135.26 148.82 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.62 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.586 ' O ' ' O ' ' A' ' 73' ' ' SER . 4.8 mp0 -141.82 152.96 44.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HB3' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -163.35 152.62 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.55 ' CG ' ' HB ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -87.5 97.01 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.572 ' CG2' ' CE ' ' A' ' 68' ' ' MET . 41.2 mm -69.3 113.84 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.42 ' CE2' HG13 ' A' ' 25' ' ' ILE . 1.5 m-30 -123.02 86.06 2.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.636 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -73.92 133.74 43.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.566 ' CE2' HG13 ' A' ' 69' ' ' ILE . 19.6 m-30 -106.64 157.71 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.523 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -72.55 58.3 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.56 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 174.48 -35.84 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 66' ' ' GLY . 15.5 mt -164.79 125.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.691 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 1.6 ttm -68.51 135.86 52.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.566 HG13 ' CE2' ' A' ' 64' ' ' PHE . 38.3 mm -119.16 151.75 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 4.5 m -142.39 107.95 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.471 ' SG ' ' CB ' ' A' ' 60' ' ' HIS . 12.6 p -83.17 111.4 18.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 59' ' ' ARG . 10.6 tttt -58.08 137.06 57.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.601 ' OG ' ' CD2' ' A' ' 88' ' ' TYR . 5.0 m -139.79 147.37 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -150.47 169.25 21.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -90.3 98.71 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.609 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.59 -161.05 33.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.33 123.79 16.81 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.3 Cg_endo -75.02 165.01 32.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 153.67 -16.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.28 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 3.5 mt -51.89 -46.02 92.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.0 0.95 8.29 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.533 1.807 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.59 -55.1 3.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.17 138.72 11.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.396 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.4 OUTLIER -109.43 164.4 12.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 84' ' ' SER . 8.1 m-20 80.86 140.09 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.577 ' CB ' ' O ' ' A' ' 29' ' ' ILE . . . 81.5 48.56 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.0 mt-10 -36.18 -50.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' OG ' ' A' ' 73' ' ' SER . 13.2 m-30 -80.17 -177.8 6.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -133.75 112.53 11.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.368 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.517 ' CD1' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.73 140.9 54.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -127.75 145.66 50.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -88.2 117.25 26.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -123.07 97.57 5.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.224 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.432 ' HA ' HD21 ' A' ' 67' ' ' LEU . 39.9 m-85 -67.32 80.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.691 ' CE2' ' SD ' ' A' ' 68' ' ' MET . 6.9 m-85 -101.91 -45.34 5.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.47 ' HA ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -44.36 -20.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' N ' ' C ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -85.19 -50.75 7.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.509 ' C ' HG11 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -175.28 142.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.587 HG12 ' CD2' ' A' ' 95' ' ' PHE . 16.3 m -145.36 -179.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 109.247 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 117' ' ' ILE . 2.8 tt0 -164.46 102.45 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -95.31 135.93 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.408 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -130.18 91.82 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.626 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 28.6 p-10 -68.5 79.58 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.23 79.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -134.14 173.22 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.776 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.2 OUTLIER -148.47 17.6 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.648 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 12.51 -74.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.776 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.1 t30 -31.34 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.5 tt0 -110.73 -32.2 6.95 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.586 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.6 m-30 -104.12 -166.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.614 1.196 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.18 -88.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 128' ' ' ALA . 1.5 t-160 -175.42 78.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 126' ' ' PHE . . . -167.87 161.08 12.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.626 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -135.79 173.3 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 102' ' ' ASN . 4.9 pt-20 -95.36 121.68 37.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.8 mm -98.71 164.95 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.463 ' N ' ' O ' ' A' ' 100' ' ' GLN . 74.3 mt -148.4 79.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.624 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 3.0 pp -82.26 172.83 12.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.8 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.92 17.19 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 45.26 68.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -138.41 125.85 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 150.39 20.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -137.68 174.78 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.588 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 4.5 mm -133.56 82.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.635 ' CD2' HD23 ' A' ' 50' ' ' LEU . 12.2 m-30 -75.69 145.18 41.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.549 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 0.1 OUTLIER -124.51 111.52 15.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.97 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.73 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.19 143.87 41.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.67 -4.89 14.01 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.49 112.43 24.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.34 -37.84 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.7 -42.62 77.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.71 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 11.3 mm-40 -62.43 -38.67 90.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -36.83 80.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 138' ' ' MET . 58.0 t30 -84.0 -37.27 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 140' ' ' ALA . 1.1 m-20 -77.38 -21.83 52.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.73 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 37.9 m0 -74.57 -50.31 18.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 108.002 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.438 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -71.66 -52.43 17.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.388 1.055 . . . . 0.0 111.009 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.438 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -52.13 -44.32 64.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 136' ' ' ASN . . . -59.46 -37.87 79.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.505 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -68.99 -52.59 27.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.29 -17.3 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 t -69.93 -42.65 72.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.47 ' HB3' ' HA ' ' A' ' 96' ' ' MET . 15.8 mt -67.85 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.9 -23.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.256 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.508 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.2 OUTLIER -72.84 -31.17 64.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -86.16 43.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.251 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.3 31.95 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.29 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER -86.93 -159.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.703 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.563 0.221 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.572 ' N ' ' SD ' ' A' ' 22' ' ' MET . 1.8 p-10 -67.42 -36.49 81.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -96.27 -0.17 50.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' ' 29' ' ' ILE . 37.6 mt -118.69 -20.27 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.703 ' N ' ' O ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -54.33 -36.69 64.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 47.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.452 ' N ' ' HA ' ' A' ' 86' ' ' ALA . 2.5 t30 178.56 24.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.582 ' CG1' ' HA ' ' A' ' 26' ' ' GLN . 2.3 pp -131.52 -135.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.522 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -176.15 -80.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.55 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -100.38 11.2 59.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.55 ' C ' ' O ' ' A' ' 31' ' ' GLY . 53.3 t-105 30.91 70.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.486 ' HB3' ' CG ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -82.54 -1.53 50.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 33' ' ' GLU . . . -44.51 170.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.43 -36.22 22.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 0.81 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.417 ' OD1' ' CB ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -169.3 -174.7 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.405 ' CG2' ' H ' ' A' ' 38' ' ' GLY . 5.3 mt -78.67 -123.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.467 ' CA ' ' ND2' ' A' ' 42' ' ' ASN . . . -98.67 29.48 11.51 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -98.92 -29.47 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 110.347 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' CB ' ' OD1' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -139.95 28.94 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.329 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 p 167.75 99.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.257 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.467 ' ND2' ' CA ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -156.47 26.97 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 44' ' ' PHE . 25.7 mm-40 -133.71 59.05 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.641 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 25.0 p90 -30.8 128.46 0.14 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.501 ' HB ' ' CD2' ' A' ' 63' ' ' LEU . 2.7 mt -97.27 -68.12 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.499 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 4.5 mtp -89.7 109.63 20.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' CG ' ' CD1' ' A' ' 44' ' ' PHE . 4.8 mm-40 -110.52 83.89 1.84 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -163.38 175.01 39.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.555 ' HB ' ' CD2' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -122.16 120.48 34.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 0.723 . . . . 0.0 110.433 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.746 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 4.3 mp -109.32 133.68 52.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 126' ' ' PHE . 0.9 OUTLIER -78.91 135.83 37.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.361 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -93.66 93.64 8.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.49 ' HB ' ' CG2' ' A' ' 125' ' ' ILE . 1.4 t -74.94 -175.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.582 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . 93.22 11.55 58.41 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 54' ' ' GLY . . . 89.58 59.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -138.77 -111.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.459 ' CD2' ' HA ' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -174.8 -174.7 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.609 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 4.9 mt-10 -70.26 161.6 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 52' ' ' ARG . 25.6 mtm180 -159.72 113.6 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.646 ' ND1' ' CE2' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -68.05 120.82 14.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.553 ' HB ' ' CD1' ' A' ' 50' ' ' LEU . 39.0 mm -95.82 127.35 47.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CE1' ' OE1' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -136.17 81.43 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.501 ' CD2' ' HB ' ' A' ' 45' ' ' ILE . 0.7 OUTLIER -71.78 127.73 33.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.7 m-30 -101.63 143.12 31.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.8 t0 -54.68 -17.06 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . -95.59 -39.37 4.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 64' ' ' PHE . 56.7 mt -157.27 178.47 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 0.714 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.677 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 13.5 ttm -103.83 114.15 28.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.4 mm -110.07 139.63 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 75.5 m -142.9 112.51 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 108.234 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 15.2 p -96.21 129.03 43.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -75.51 144.86 41.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.512 ' CB ' ' CD1' ' A' ' 88' ' ' TYR . 36.2 t -130.38 97.38 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.178 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.459 ' HA ' ' CD2' ' A' ' 57' ' ' HIS . 1.9 m-80 -115.9 -64.11 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -167.91 -169.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.582 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -128.65 36.57 2.42 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.507 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -72.95 -51.62 6.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.449 0.734 . . . . 0.0 110.272 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -75.01 -166.07 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 65.9 17.3 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 33.6 mt -55.41 -45.28 99.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.7 Cg_endo -74.92 -0.21 9.66 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.044 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 83' ' ' ALA . . . -103.36 -94.84 2.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 82' ' ' GLY . . . 165.6 172.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.5 OUTLIER -68.81 -171.48 0.3 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.521 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 4.6 m120 81.15 137.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 85' ' ' ASN . . . 85.65 46.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.182 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.7 mt-10 -32.12 -41.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.646 ' CE2' ' ND1' ' A' ' 60' ' ' HIS . 3.1 m-85 -112.3 138.55 48.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -81.43 116.65 21.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.94 151.61 14.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 0.3 OUTLIER -137.92 123.05 19.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.486 ' CG ' ' HB3' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -65.93 123.69 20.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.677 ' O ' ' HB3' ' A' ' 68' ' ' MET . 22.1 mttt -148.44 73.48 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 42.7 p90 -78.24 76.2 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.623 ' CE1' ' CG ' ' A' ' 120' ' ' ASP . 0.8 OUTLIER -130.28 0.32 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.582 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.61 -19.71 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -89.71 -4.17 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 119.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 1.2 m -145.65 179.46 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -164.54 109.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.225 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.2 OUTLIER -98.32 138.61 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 104' ' ' LYS . 20.6 t30 -128.58 80.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.597 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 23.7 p-10 -60.8 82.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -107.76 79.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 28.4 t0 -132.63 169.68 16.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.765 ' O ' ' N ' ' A' ' 108' ' ' ASN . 4.6 t0 -139.65 9.68 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.623 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 16.07 -77.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.765 ' N ' ' O ' ' A' ' 106' ' ' ASP . 93.8 m-20 -32.6 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.2 tt0 -113.91 -27.64 7.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.564 ' O ' ' O ' ' A' ' 107' ' ' THR . 14.0 m-30 -107.03 -168.56 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.544 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -77.87 -93.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.544 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.8 OUTLIER -176.74 75.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.574 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 126' ' ' PHE . . . -165.29 163.11 20.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.597 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -137.43 176.9 8.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.36 124.27 45.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.609 HD12 ' CD2' ' A' ' 126' ' ' PHE . 4.3 mp -118.13 141.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 17.8 mt -131.64 117.67 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.608 ' CB ' ' CD2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -93.82 145.1 24.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.482 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -37.28 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.623 ' CG ' ' CE1' ' A' ' 95' ' ' PHE . 4.6 t0 -43.69 -22.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.556 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 7.5 tt0 90.2 24.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.453 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 3.6 t-20 -122.73 167.57 13.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 8.0 p -118.97 166.32 13.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 109.968 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -149.4 176.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 20.3 mt -141.3 84.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.609 ' CD2' HD12 ' A' ' 116' ' ' ILE . 4.4 m-85 -80.35 144.39 32.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.477 ' OG ' ' O ' ' A' ' 112' ' ' HIS . 0.5 OUTLIER -124.25 108.75 12.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.777 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -108.0 146.06 33.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 9.92 14.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.2 112.32 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.23 -27.97 1.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -44.99 28.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.374 1.046 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.776 ' O ' ' N ' ' A' ' 137' ' ' TRP . 15.5 mt-10 -63.65 -43.74 95.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 9.7 pttt -57.42 -37.76 73.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.472 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 2.4 t30 -81.7 -40.13 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.42 ' O ' ' HB1' ' A' ' 140' ' ' ALA . 1.2 m-80 -77.36 -21.04 53.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.777 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 36.5 m0 -73.31 -45.64 54.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.111 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -80.65 -48.31 12.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.437 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -52.3 -48.2 65.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.499 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -55.65 -42.48 75.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.421 ' HG ' ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -66.18 -52.51 47.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.63 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 19.4 mm -64.15 -17.38 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.065 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 139' ' ' ALA . 7.6 t -69.01 -46.36 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' A' ' 96' ' ' MET . 17.7 mt -69.4 -61.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.6 tt0 -47.1 -22.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.355 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.63 ' CE1' ' CG2' ' A' ' 142' ' ' ILE . 0.9 OUTLIER -75.88 -26.69 57.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 111.092 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 144' ' ' LEU . 19.0 mtp85 -86.06 7.71 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.19 29.63 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -174.94 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.8 OUTLIER -106.21 -160.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.564 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.582 0.229 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.421 ' ND2' ' H ' ' A' ' 24' ' ' GLU . 1.4 p-10 -70.52 -60.26 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 3.4 pt-20 -66.65 -9.7 38.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.483 HD13 ' CZ ' ' A' ' 62' ' ' PHE . 2.2 mt -102.25 -28.27 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 22' ' ' MET . 1.4 mm-40 -50.79 -27.24 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -94.63 32.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.414 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 1.8 t-20 -160.97 22.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.366 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.515 ' CG2' ' HB3' ' A' ' 90' ' ' LEU . 1.8 pp -122.05 -128.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 2.5 t70 -165.13 -72.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.647 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -126.3 16.91 6.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.647 ' C ' ' O ' ' A' ' 31' ' ' GLY . 32.7 t-105 20.69 -94.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER -172.42 -158.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . -62.29 -159.44 0.15 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ILE . 4.5 mptt -63.28 82.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' HB3' ' NE1' ' A' ' 32' ' ' TRP . 3.8 p30 -44.66 96.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -100.98 23.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.7 33.2 83.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.416 1.073 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -109.25 -24.05 11.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . 84.1 m -106.63 8.0 30.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.6 t 169.28 113.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.319 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -142.84 16.08 1.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.395 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER 176.49 70.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 35.4 p90 -32.67 113.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.493 ' CG1' ' HA ' ' A' ' 65' ' ' ASP . 3.4 mm -53.05 -61.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.515 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 1.1 ptm -144.14 142.61 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 15.0 pt-20 -119.93 119.13 32.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ILE . . . -155.7 166.55 32.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.14 118.82 31.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.732 ' HG ' ' CZ3' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -115.09 142.7 46.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -77.59 121.87 24.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.28 98.0 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 125' ' ' ILE . 2.0 t -74.27 -176.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.65 1.39 66.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.611 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -150.01 -42.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 0.775 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 1.3 tttt 96.11 67.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.586 ' CE1' ' ND2' ' A' ' 74' ' ' ASN . 91.5 m-70 -161.41 167.81 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.632 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 73' ' ' SER . 1.3 mp0 -112.28 158.11 20.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.498 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 21.2 mtm180 -148.31 117.21 6.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' CYS . 1.4 t60 -66.96 92.06 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.554 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.628 ' CD1' ' CZ ' ' A' ' 126' ' ' PHE . 17.3 mm -59.64 153.36 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -170.72 90.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.391 1.057 . . . . 0.0 110.99 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.518 ' CD1' HD13 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -88.81 129.07 35.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 44' ' ' PHE . 16.7 m-85 -99.75 151.72 20.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.421 1.076 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.493 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 7.6 t0 -59.57 -16.86 28.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.59 -36.62 6.43 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.478 ' HA ' ' CB ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -174.32 147.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 0.802 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -78.94 138.09 37.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.94 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.545 ' CD1' ' C ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -147.89 136.86 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.492 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 13.5 p -109.36 154.79 22.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 60' ' ' HIS . 3.9 m -118.45 107.46 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -73.57 121.32 20.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 58' ' ' GLU . 11.9 p -123.43 105.79 10.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.075 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.586 ' ND2' ' CE1' ' A' ' 57' ' ' HIS . 1.7 t-20 -137.75 84.79 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.18 142.79 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.564 1.165 . . . . 0.0 109.611 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.45 164.79 17.9 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.73 157.17 46.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.62 0.835 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -75.02 -170.4 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.475 1.776 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 80.75 23.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.602 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -66.66 -46.78 57.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.94 -0.1 9.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.424 1.749 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -103.99 40.15 2.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 64.57 88.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.78 . . . . 0.0 109.278 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 1.0 OUTLIER -147.77 -167.95 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 109.976 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.606 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 11.8 m-20 151.89 141.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.606 ' CB ' ' O ' ' A' ' 85' ' ' ASN . . . 91.3 46.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' ALA . 14.2 mt-10 -35.8 -49.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 86' ' ' ALA . 8.9 m-85 -83.62 -160.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -141.38 136.14 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.566 ' C ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -93.76 156.02 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -139.89 100.44 3.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.54 132.25 53.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 68' ' ' MET . 0.8 OUTLIER -136.55 75.41 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.51 ' O ' ' CD1' ' A' ' 95' ' ' PHE . 20.0 m-85 -60.91 79.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.591 ' CE2' HD11 ' A' ' 118' ' ' LEU . 13.2 m-85 -139.93 6.47 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.478 ' CB ' ' HA ' ' A' ' 67' ' ' LEU . 1.3 tmt? -57.04 -14.1 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 98' ' ' LYS . 9.5 ttt180 -97.1 -7.11 33.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 110.241 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 2.4 mttt -175.06 130.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.553 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 2.4 m -151.99 -179.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' A' ' 117' ' ' ILE . 6.2 mt-30 -158.27 76.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.461 ' HB ' ' CD2' ' A' ' 141' ' ' LEU . 0.0 OUTLIER -77.67 135.78 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.2 m-20 -128.3 75.54 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.508 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 11.8 p-10 -59.22 78.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -107.01 71.75 0.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.57 ' HB3' ' N ' ' A' ' 114' ' ' PHE . 2.4 p-10 -128.4 -152.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 105' ' ' ASP . 2.9 m-20 -170.21 -173.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 108' ' ' ASN . 5.7 t -177.82 -149.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.445 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.588 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 64.5 t30 50.39 16.61 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.588 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 9.6 tt0 153.73 -20.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.442 ' CB ' ' HB3' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -95.84 -167.37 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.0 OUTLIER -163.2 -17.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.443 ' O ' ' HA ' ' A' ' 105' ' ' ASP . 13.8 t-160 -53.2 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.553 ' HB1' ' CB ' ' A' ' 127' ' ' SER . . . -50.02 -179.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.759 ' CD1' ' O ' ' A' ' 126' ' ' PHE . 44.7 p90 -102.95 165.64 10.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -107.75 144.07 35.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.517 ' O ' ' HA ' ' A' ' 123' ' ' SER . 2.6 mp -118.81 156.59 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 100' ' ' GLN . 56.5 mt -148.18 103.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.591 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -106.64 176.15 5.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.519 ' CB ' ' CD1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -51.49 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 60.87 13.06 4.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 49.51 72.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.2 141.71 37.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -119.5 159.49 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.462 ' CG1' ' NH2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -142.96 178.85 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.495 ' CG2' ' HB ' ' A' ' 53' ' ' VAL . 6.9 mt -142.81 84.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.759 ' O ' ' CD1' ' A' ' 114' ' ' PHE . 8.6 m-85 -96.56 136.42 37.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.553 ' CB ' ' HB1' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -108.24 126.74 53.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.739 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.78 140.63 46.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -114.63 13.48 17.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.47 ' CB ' ' HG3' ' A' ' 133' ' ' GLU . 1.2 m -130.72 113.68 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.491 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -47.63 -35.59 9.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -38.87 63.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.805 ' O ' ' N ' ' A' ' 137' ' ' TRP . 29.1 mt-10 -62.54 -48.26 80.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.491 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 10.2 ptmt -53.87 -44.64 70.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.1 t30 -70.11 -46.28 65.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.94 -15.22 60.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.805 ' N ' ' O ' ' A' ' 133' ' ' GLU . 29.0 m0 -80.14 -40.96 26.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 108.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -89.8 -35.21 15.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -61.81 -46.76 88.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -56.04 -49.2 74.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.461 ' CD2' ' HB ' ' A' ' 101' ' ' ILE . 0.1 OUTLIER -66.1 -47.65 73.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 13.8 mm -61.49 -22.53 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 139' ' ' ALA . 5.9 t -69.36 -38.49 78.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.068 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 63' ' ' LEU . 82.5 mt -68.75 -62.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 145' ' ' GLN . 40.5 tp60 -47.06 -22.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.503 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.9 OUTLIER -82.39 -40.05 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -77.21 51.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.629 1.206 . . . . 0.0 110.345 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.35 33.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -179.55 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER -83.38 -157.62 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.602 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.468 0.175 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.573 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 7.7 p30 -69.16 -33.06 72.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 4.8 pt-20 -91.31 -7.13 51.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.371 1.044 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.561 HD13 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -106.4 -32.89 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' MET . 0.6 OUTLIER -47.24 -26.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' CD ' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -116.98 42.19 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.601 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m-20 -148.3 -30.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -56.37 -161.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -145.69 -84.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -104.19 8.95 49.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.579 1.175 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 34.4 t-105 29.88 48.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 31' ' ' GLY . 1.4 tt0 39.65 -153.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 33' ' ' GLU . . . -59.63 -125.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -114.89 91.11 3.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.441 ' OD2' ' CD1' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -106.46 150.77 25.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -153.48 -46.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.459 ' HA2' ' CB ' ' A' ' 42' ' ' ASN . . . 164.61 40.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -102.16 -20.81 14.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' O ' ' HA3' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -173.81 40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 108.376 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 2.1 p 165.51 97.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 108.33 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.459 ' CB ' ' HA2' ' A' ' 38' ' ' GLY . 47.1 t30 172.48 32.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -108.34 0.91 21.49 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.602 ' CZ ' ' HB3' ' A' ' 22' ' ' MET . 11.3 m-85 33.57 62.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.481 HG23 ' CG ' ' A' ' 46' ' ' MET . 1.0 OUTLIER -42.69 -65.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.481 ' CG ' HG23 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -138.24 135.51 35.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 1.9 mp0 -115.2 115.93 27.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -163.74 163.32 35.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.497 ' HB ' ' CD2' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -115.79 121.45 42.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 0.744 . . . . 0.0 110.414 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.753 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 3.8 mp -112.79 144.89 41.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.479 HG23 ' CB ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -100.84 144.37 29.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.403 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.7 ttp85 -93.35 102.53 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.618 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 2.4 t -77.67 71.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -149.72 7.09 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 54' ' ' GLY . . . 159.87 39.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 0.722 . . . . 0.0 109.352 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 55' ' ' ALA . 4.6 pttm 44.39 75.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -137.71 144.62 41.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 24.9 mt-10 -114.41 163.24 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -160.82 126.24 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.497 ' CD2' ' HB ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -79.64 101.9 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.634 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.65 ' O ' ' CD2' ' A' ' 62' ' ' PHE . 27.8 mm -78.98 143.15 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CD2' ' O ' ' A' ' 61' ' ' ILE . 17.1 m-85 -164.4 89.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -87.95 130.71 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.931 ' O ' ' N ' ' A' ' 66' ' ' GLY . 5.1 m-85 -115.45 73.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.48 ' CA ' HG13 ' A' ' 45' ' ' ILE . 25.2 t0 38.76 -71.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.931 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -36.14 -44.39 0.78 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -175.08 156.3 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.64 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -87.07 121.53 29.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 91' ' ' LYS . 29.1 mm -107.75 141.8 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 4.6 m -125.49 122.3 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 108.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.3 m -89.8 138.12 31.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.462 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -87.84 112.72 22.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.525 ' HA ' ' CD1' ' A' ' 88' ' ' TYR . 2.2 t -117.42 100.33 7.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -89.18 -11.22 44.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.588 ' CD2' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER 79.34 -54.73 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.593 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 78' ' ' PRO . . . -35.87 133.12 0.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' GLY . 0.8 OUTLIER -34.84 95.78 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.777 . . . . 0.0 110.322 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.4 Cg_endo -74.98 -169.11 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 1.8 tmt_? 82.82 14.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.1 mt -61.68 -45.22 93.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.99 -0.73 10.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . 90.05 -68.84 2.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.609 1.193 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 82' ' ' GLY . . . 35.89 -150.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.6 0.823 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.25 93.86 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 64.9 92.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 29' ' ' ILE . . . 176.42 49.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 86' ' ' ALA . 20.8 mt-10 -34.25 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 11.2 m-30 -108.9 -168.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.451 ' HG3' ' CB ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -142.76 118.33 10.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.427 ' CD2' ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.38 156.44 10.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.467 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 1.1 tppt? -140.06 151.77 45.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.49 120.96 30.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.622 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -139.97 79.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -62.48 80.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.65 ' CZ ' ' CD2' ' A' ' 118' ' ' LEU . 3.1 m-85 -90.67 -37.66 13.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.514 ' HA ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -50.61 -17.71 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' PHE . 19.8 ttt180 -83.47 -52.65 6.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -175.98 141.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.484 ' CG1' ' HA ' ' A' ' 95' ' ' PHE . 4.2 m -151.33 -177.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -160.03 79.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.49 HG21 ' CD1' ' A' ' 142' ' ' ILE . 0.0 OUTLIER -74.0 112.02 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -112.5 81.63 1.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.584 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 5.6 p-10 -78.36 113.28 16.21 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -129.75 75.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.264 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.91 178.42 4.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.767 ' O ' ' N ' ' A' ' 108' ' ' ASN . 44.9 m-20 -146.87 14.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.631 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.0 OUTLIER 14.83 -76.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.767 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -32.58 -32.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.6 tt0 -113.05 -28.55 7.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.584 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.7 m-30 -109.53 -166.28 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.54 ' CG ' ' N ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -82.33 -95.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.54 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 4.9 t-80 -175.33 78.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 126' ' ' PHE . . . -158.46 164.27 36.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.584 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -143.03 164.14 30.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 102' ' ' ASN . 1.9 mt-10 -93.64 129.3 39.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.602 HG13 ' CD2' ' A' ' 126' ' ' PHE . 1.5 mm -110.38 156.6 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 100' ' ' GLN . 84.5 mt -147.8 129.65 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.65 ' CD2' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -122.48 136.99 55.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.362 1.039 . . . . 0.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.479 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -40.74 -30.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.5 OUTLIER -45.23 -22.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 4.9 tt0 91.18 39.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -146.23 154.23 41.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.392 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 92.3 p -120.39 164.39 16.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.67 173.28 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 4.8 mp -138.87 79.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.624 ' CD1' ' CB ' ' A' ' 50' ' ' LEU . 4.3 m-85 -69.69 153.43 43.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.479 ' CB ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -139.14 103.58 4.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.721 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -102.64 163.36 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.56 -5.7 9.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.72 118.22 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -49.25 -29.42 5.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -76.36 -42.52 44.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.696 ' O ' ' N ' ' A' ' 137' ' ' TRP . 7.5 mm-40 -59.52 -44.58 93.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 11.4 pttt -59.22 -40.51 86.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.441 ' O ' ' HG3' ' A' ' 138' ' ' MET . 0.7 OUTLIER -75.79 -39.01 57.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -79.83 -17.57 52.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.753 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 35.8 m0 -78.22 -47.38 18.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 108.038 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.444 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -74.82 -46.91 33.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 111.059 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -55.36 -44.54 76.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.461 ' HB1' ' SD ' ' A' ' 46' ' ' MET . . . -58.9 -37.96 77.81 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -70.77 -52.62 19.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.49 ' CD1' HG21 ' A' ' 101' ' ' ILE . 25.6 mm -64.31 -20.9 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 139' ' ' ALA . 45.0 t -71.11 -38.41 72.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.085 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.514 ' HB3' ' HA ' ' A' ' 96' ' ' MET . 22.9 mt -67.71 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -45.7 -24.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.505 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.2 OUTLIER -72.34 -29.19 63.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -85.79 42.9 1.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 110.199 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.98 38.87 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.021 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 176.8 -35.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER -92.78 -160.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.428 ' N ' HD13 ' A' ' 150' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' GLN . 4.8 mtp . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.565 0.222 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -72.15 -31.52 66.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -92.94 -11.37 33.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.564 HD13 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -101.53 -33.23 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 22' ' ' MET . 1.2 mm-40 -53.58 -21.31 6.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.0 51.02 1.03 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.511 ' O ' ' O ' ' A' ' 29' ' ' ILE . 6.3 t30 -173.61 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.2 pp -54.58 -158.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -141.49 -77.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.554 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -108.03 9.19 36.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 7.9 t-105 30.65 76.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -47.59 167.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 59.01 149.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -41.62 26.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.487 ' C ' ' CD1' ' A' ' 37' ' ' ILE . 8.9 p-10 -165.15 130.92 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.487 ' CD1' ' C ' ' A' ' 36' ' ' ASP . 4.4 mp -151.51 -44.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' CYS . . . -45.35 -23.83 0.86 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' ILE . 8.0 mt-30 -83.67 -44.75 14.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.92 -22.57 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' GLY . 28.9 p -179.64 -135.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.507 ' CA ' ' HB3' ' A' ' 64' ' ' PHE . 1.4 m-20 54.13 35.53 22.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.564 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -67.02 102.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.608 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -21.38 94.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -70.43 -74.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.425 ' HG3' HG23 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -133.85 139.5 46.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -115.21 135.49 54.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.87 170.97 43.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.095 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.498 ' CG2' ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -123.92 114.67 20.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 110.405 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.728 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 3.4 mp -113.15 144.01 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.496 HG23 ' CB ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -102.38 148.14 25.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.436 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.1 ttt180 -95.11 104.78 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.637 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 2.1 t -81.38 73.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -160.9 23.88 0.25 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.587 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 160.22 -20.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 16.9 tttp 94.2 77.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -140.79 149.96 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.599 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' SER . 39.7 tt0 -122.38 157.52 31.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.495 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 1.7 ptp85 -160.99 137.68 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 71' ' ' CYS . 2.5 t60 -83.71 89.83 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.665 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.511 ' HB ' ' CD1' ' A' ' 50' ' ' LEU . 34.2 mm -59.97 146.5 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 109.228 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -161.04 84.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.484 ' CD1' HD13 ' A' ' 144' ' ' LEU . 0.6 OUTLIER -76.56 128.55 34.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.596 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 16.8 m-85 -103.88 153.77 20.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' HA ' HG13 ' A' ' 45' ' ' ILE . 1.7 t0 -72.88 57.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.431 ' O ' HD22 ' A' ' 67' ' ' LEU . . . 172.53 -30.39 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 24.5 mt -158.45 129.52 6.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.706 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -85.5 109.58 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.948 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.596 HG23 ' CZ ' ' A' ' 64' ' ' PHE . 1.2 tp -99.15 165.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -152.08 91.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.259 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 60' ' ' HIS . 5.3 m -67.64 110.96 3.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 108.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -71.53 161.86 30.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.627 ' CB ' ' CE2' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -158.35 110.5 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.512 ' OD1' ' CD2' ' A' ' 75' ' ' HIS . 8.9 t-20 -113.85 -70.04 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.512 ' CD2' ' OD1' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -167.8 -168.56 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.622 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.45 106.0 0.19 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.498 ' CB ' ' HD3' ' A' ' 78' ' ' PRO . 2.3 mt-30 -79.85 -57.01 0.71 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.51 0.771 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -74.98 143.05 28.66 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -173.56 19.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.589 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -76.98 -47.13 2.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.0 Cg_endo -74.98 -0.18 9.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.53 107.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 85' ' ' ASN . . . -79.72 56.8 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 0.801 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 85' ' ' ASN . 0.2 OUTLIER 45.12 26.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.065 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 83' ' ' ALA . 3.4 m-80 47.13 94.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.577 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . -178.77 47.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -35.69 -38.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.627 ' CE2' ' CB ' ' A' ' 73' ' ' SER . 4.3 m-85 -89.74 178.81 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -131.73 108.68 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.564 ' CD1' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.32 126.0 25.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HB3' ' SG ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -114.44 122.3 46.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 122.42 19.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 68' ' ' MET . 0.1 OUTLIER -139.6 77.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.676 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 45.0 p90 -82.83 75.79 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CE1' ' HB3' ' A' ' 68' ' ' MET . 44.7 p90 -128.25 -15.82 4.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.511 ' SD ' ' N ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -38.64 -39.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 111.075 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -52.11 -18.43 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.63 99.57 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.602 HG13 ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -118.08 -178.99 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.1 OUTLIER -166.43 108.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.498 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -95.8 141.93 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.498 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -137.16 93.35 2.82 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.694 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 18.3 p-10 -62.63 80.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -102.94 93.24 4.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.652 ' CB ' ' O ' ' A' ' 113' ' ' ALA . 3.2 t70 175.48 -149.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.546 ' O ' HG21 ' A' ' 107' ' ' THR . 0.3 OUTLIER 178.2 -160.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.546 HG21 ' O ' ' A' ' 106' ' ' ASP . 1.7 p -147.46 -57.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.474 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -45.66 -24.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.513 ' C ' ' CD1' ' A' ' 110' ' ' TYR . 14.8 tt0 -131.05 -2.4 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 109' ' ' GLU . 4.7 m-85 -137.81 -168.1 2.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 112' ' ' HIS . 0.6 OUTLIER -86.78 -93.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.547 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 0.9 OUTLIER -179.87 79.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.532 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.652 ' O ' ' CB ' ' A' ' 105' ' ' ASP . . . -152.9 -174.57 4.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.694 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -170.34 163.1 8.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 0.0 OUTLIER -94.25 130.6 40.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.594 HG13 ' CD2' ' A' ' 126' ' ' PHE . 1.0 OUTLIER -103.18 167.13 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 100' ' ' GLN . 38.6 mt -153.25 104.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.595 ' CB ' ' CD2' ' A' ' 95' ' ' PHE . 2.2 pp -111.1 163.59 13.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -49.34 -178.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.68 12.12 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 53.23 79.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.426 ' CB ' HD13 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -153.11 129.13 10.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.36 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.6 p -110.71 157.08 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.051 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 115' ' ' GLU . 1.6 t -137.16 174.36 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 28.2 mt -135.51 78.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.615 ' CD1' ' CB ' ' A' ' 50' ' ' LEU . 3.2 m-85 -71.81 152.56 42.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.505 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -134.27 102.63 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.935 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.69 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.03 152.59 20.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -9.86 12.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.502 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -110.78 117.01 32.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.37 -34.45 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -39.26 74.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.721 ' O ' ' N ' ' A' ' 137' ' ' TRP . 6.4 mm-40 -60.96 -46.13 91.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -56.17 -44.44 79.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.2 t-20 -70.68 -42.63 70.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.45 -16.82 59.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.728 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 36.6 m0 -80.61 -43.56 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -84.31 -35.74 23.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 111.019 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -64.45 -43.71 93.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.35 80.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -47.26 52.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.516 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 37.1 mm -65.76 -19.79 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -45.63 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.505 ' CD1' ' SD ' ' A' ' 68' ' ' MET . 53.3 mt -65.75 -59.15 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.43 ' CB ' ' H ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -50.35 -22.81 1.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.516 ' CD2' ' O ' ' A' ' 142' ' ' ILE . 0.1 OUTLIER -78.4 -36.22 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 51.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.02 29.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -177.52 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.6 pp -78.64 -1.79 35.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.526 0.203 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 1.4 p30 -70.88 -62.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -54.94 -18.73 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.618 HD12 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -83.36 -36.75 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.516 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -55.67 -25.85 41.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -101.29 33.85 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.598 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 1.2 t-20 -164.72 23.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.559 ' CG2' ' HB3' ' A' ' 90' ' ' LEU . 1.7 pp -110.46 -126.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -172.82 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.522 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -86.97 -10.23 72.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.522 ' C ' ' O ' ' A' ' 31' ' ' GLY . 11.7 t-105 32.17 89.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 32' ' ' TRP . 3.0 mm-40 -33.92 152.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 33' ' ' GLU . . . -59.38 -140.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 14.7 mmtt 78.9 -115.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 0.775 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 9.4 m-20 149.01 42.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.409 ' O ' ' O ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 40.8 90.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.64 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 135.99 -9.7 4.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.563 1.164 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.51 ' N ' ' CD ' ' A' ' 39' ' ' GLN . 10.7 mp0 -101.07 -40.71 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 50.0 t -145.41 17.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 108.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.68 ' O ' ' CB ' ' A' ' 42' ' ' ASN . 1.5 m -171.07 169.19 6.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 0.0 108.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.68 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 6.7 t30 138.34 -4.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 44' ' ' PHE . 2.1 mm-40 -117.82 40.69 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.645 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 6.0 p90 -26.01 113.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.475 ' CG2' HD22 ' A' ' 63' ' ' LEU . 18.3 mm -56.93 -67.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.377 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ptm -143.68 143.79 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.517 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.16 127.98 54.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.237 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.6 167.94 41.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.532 HG22 ' CG ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -117.78 119.1 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.434 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.729 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 4.5 mp -111.64 137.92 48.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -85.49 140.08 30.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.512 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.2 OUTLIER -94.42 98.18 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.097 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.636 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 2.2 t -84.85 70.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -147.83 1.58 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 173.04 34.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.724 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 0.2 OUTLIER 48.38 79.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 51.2 m-70 -163.39 146.71 10.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.557 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.93 173.82 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -163.04 143.66 9.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.532 ' CG ' HG22 ' A' ' 49' ' ' THR . 3.5 t-160 -89.4 100.73 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.543 ' HB ' ' CD1' ' A' ' 50' ' ' LEU . 23.5 mm -77.56 147.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.618 ' CD2' HD12 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -160.45 94.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.498 ' CD2' ' CD1' ' A' ' 144' ' ' LEU . 19.9 tp -80.76 115.29 20.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.621 ' CE2' ' CG2' ' A' ' 69' ' ' ILE . 15.8 m-30 -95.53 146.64 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 45' ' ' ILE . 14.8 t0 -57.98 -14.13 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.4 -39.55 4.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.507 HD21 ' CE2' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -175.53 151.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.512 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 20.7 ttt -82.45 140.78 33.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.621 ' CG2' ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -142.86 150.49 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.484 ' SG ' ' CD ' ' A' ' 93' ' ' LYS . 50.4 m -138.84 123.75 18.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 108.25 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -96.94 140.84 30.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -88.3 133.46 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.377 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.579 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 12.5 p -134.21 124.59 26.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.01 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 m120 -128.05 154.03 46.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 67.79 -71.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.653 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' ASN . . . 101.97 127.1 6.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -113.71 164.48 15.82 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -167.34 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 82' ' ' GLY . 3.0 mtt-85 64.88 24.05 12.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.6 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.5 mt -53.05 -46.28 97.75 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.95 -0.97 10.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ARG . . . -156.11 57.82 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.53 156.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.732 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 88.6 p -160.96 46.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.075 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' A' ' 27' ' ' LYS . 2.2 m-20 158.69 134.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.513 ' CB ' HD11 ' A' ' 29' ' ' ILE . . . -80.94 42.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 86' ' ' ALA . 15.7 mt-10 -33.28 -50.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.598 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 18.9 m-30 -64.0 -167.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 4.7 mtm180 -147.06 105.72 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.559 ' HB3' ' CG2' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -63.89 146.6 53.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -122.26 144.83 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.599 1.187 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 6.5 pt-20 -89.18 112.52 23.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.624 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 11.9 mttp -121.71 74.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.507 ' CE2' HD21 ' A' ' 67' ' ' LEU . 55.0 m-85 -65.77 75.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.624 ' CD2' ' HB3' ' A' ' 93' ' ' LYS . 5.6 m-85 -135.01 1.16 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.456 ' SD ' ' N ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -56.52 -13.87 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 111.022 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.443 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -97.79 -8.21 28.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.238 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -174.47 129.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 4.3 m -148.55 -178.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.4 mt-30 -164.93 80.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.447 HD12 ' CE2' ' A' ' 114' ' ' PHE . 0.2 OUTLIER -75.87 137.58 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 115' ' ' GLU . 2.2 t-20 -134.58 79.45 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.676 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -61.6 83.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -94.25 86.07 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -148.33 164.52 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.843 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -141.57 15.57 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.619 ' C ' ' O ' ' A' ' 106' ' ' ASP . 2.9 p 17.9 -73.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.442 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.843 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.9 m120 -33.05 -30.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.37 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.619 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.6 tt0 -114.14 -27.69 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.572 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.0 m-85 -109.77 -167.6 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -82.96 -90.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.518 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -175.47 76.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.623 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.535 ' CB ' ' OG ' ' A' ' 127' ' ' SER . . . -164.24 158.07 18.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.676 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 14.1 p90 -142.35 176.66 8.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -108.96 127.71 54.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.238 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.561 HD12 ' CG ' ' A' ' 126' ' ' PHE . 3.6 mp -102.53 164.2 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 100' ' ' GLN . 48.1 mt -152.93 103.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -103.73 158.28 16.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -46.63 174.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.43 0.87 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.27 80.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.468 ' CB ' HD13 ' A' ' 118' ' ' LEU . 1.3 m120 -157.26 135.13 10.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.386 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 30.4 p -116.37 165.77 12.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.22 178.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 5.3 mp -138.83 82.91 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.579 ' CD2' HD23 ' A' ' 50' ' ' LEU . 5.8 m-30 -83.78 165.97 18.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.535 ' OG ' ' CB ' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -145.1 100.26 3.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.729 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -98.53 141.97 30.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -6.1 13.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.4 m -107.68 112.43 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.17 -35.32 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -45.28 54.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.728 ' O ' ' N ' ' A' ' 137' ' ' TRP . 10.0 mm-40 -59.2 -44.38 92.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.93 -42.33 79.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.557 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 36.0 t-20 -75.36 -41.41 56.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.98 -15.74 59.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.221 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.729 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 35.5 m0 -81.2 -40.48 23.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 108.053 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.476 ' HE2' ' CA ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -89.32 -36.23 15.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.047 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -64.54 -46.05 84.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.53 -46.74 77.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.437 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 1.5 mp -67.01 -43.27 83.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.541 HG21 ' CE1' ' A' ' 146' ' ' TYR . 2.9 mm -67.97 -18.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 139' ' ' ALA . 19.2 t -71.54 -41.17 69.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.498 ' CD1' ' CD2' ' A' ' 63' ' ' LEU . 18.4 mt -71.66 -62.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.434 ' HB3' ' CG2' ' A' ' 99' ' ' VAL . 0.0 OUTLIER -49.48 -21.51 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.541 ' CE1' HG21 ' A' ' 142' ' ' ILE . 0.4 OUTLIER -70.14 -27.74 64.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -93.32 17.84 10.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.91 30.23 4.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.74 -40.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER -101.41 -160.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.676 ' N ' ' HB ' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.53 0.205 . . . . 0.0 111.054 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.439 ' N ' ' CG ' ' A' ' 22' ' ' MET . 1.4 p30 -68.73 -58.62 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -67.89 -5.52 17.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.676 ' HB ' ' N ' ' A' ' 22' ' ' MET . 2.2 mt -106.22 -31.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.427 1.079 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 22' ' ' MET . 1.1 mm-40 -66.68 -33.8 76.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' CE ' ' HB3' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -102.95 57.69 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.651 ' ND2' ' CD2' ' A' ' 88' ' ' TYR . 1.1 t-20 -173.37 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.58 ' O ' ' O ' ' A' ' 28' ' ' ASN . 2.6 pp -52.97 -156.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.47 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -136.65 -71.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.552 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -115.93 8.02 19.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 111.063 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.552 ' C ' ' O ' ' A' ' 31' ' ' GLY . 8.9 t-105 30.96 84.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.21 154.76 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 61.06 143.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -80.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 0.75 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -117.65 110.52 17.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 41' ' ' CYS . 3.2 mp -120.71 -25.77 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.73 -11.89 38.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.079 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -102.32 -31.2 10.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.3 p -93.36 -12.2 30.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.337 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.538 ' N ' ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER 174.64 -150.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.289 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.561 ' OD1' ' CD1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER 63.91 38.99 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.98 48.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER 28.6 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.449 ' CG2' ' HG ' ' A' ' 63' ' ' LEU . 1.1 mm -74.85 -73.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.479 ' CG ' ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -125.71 123.77 39.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 4.3 pm0 -110.74 113.12 25.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -168.98 165.46 38.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.41 ' HB ' ' ND1' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -117.49 125.01 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.763 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 3.3 mp -114.9 145.0 42.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.407 ' O ' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -95.07 124.78 39.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.456 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -77.56 85.08 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.601 ' CG1' ' N ' ' A' ' 54' ' ' GLY . 1.1 t -60.04 174.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.601 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 84.0 -17.92 24.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . -145.66 15.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' ALA . 16.1 tttp 37.89 76.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 13.1 m-70 -147.84 151.24 35.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.561 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 6.6 tt0 -110.88 158.99 18.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.479 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -160.74 123.33 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.41 ' ND1' ' HB ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -71.97 102.65 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.617 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.566 ' CG1' HD11 ' A' ' 50' ' ' LEU . 43.1 mm -79.41 144.9 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.544 ' CD2' ' CG1' ' A' ' 25' ' ' ILE . 12.3 m-85 -160.61 79.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.685 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.0 OUTLIER -67.85 135.97 53.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.561 ' CD1' ' OD1' ' A' ' 42' ' ' ASN . 17.2 m-85 -111.6 160.41 17.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' HA ' HG13 ' A' ' 45' ' ' ILE . 31.4 t0 -65.52 -9.75 28.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.37 -35.63 3.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.41 148.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 0.813 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.685 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -74.19 128.11 34.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 111.045 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.558 HG23 ' CZ ' ' A' ' 64' ' ' PHE . 1.1 tp -112.39 155.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 3.6 m -143.99 106.25 4.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 108.36 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.2 m -83.07 123.55 29.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 1.4 mttm -67.11 147.32 53.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.555 ' OG ' ' CZ ' ' A' ' 88' ' ' TYR . 17.4 t -151.1 104.9 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -131.71 120.51 22.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.19 109.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 77' ' ' GLN . . . 162.14 -173.96 38.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.544 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 158.92 -48.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -74.99 -171.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.063 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 83.65 21.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.584 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -71.28 -47.5 13.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.06 0.65 8.67 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 84' ' ' SER . . . -117.97 62.01 0.43 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.69 82.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.1 OUTLIER 174.76 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 109.998 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 84' ' ' SER . 3.4 m-20 156.21 127.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.59 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . -94.04 41.76 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' ALA . 20.1 mt-10 -34.49 -44.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.651 ' CD2' ' ND2' ' A' ' 28' ' ' ASN . 11.9 m-30 -79.1 179.31 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 111.083 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -136.26 116.68 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -58.92 143.66 47.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 5.5 tttp -124.75 146.22 49.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.78 120.26 33.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 19.1 mttt -138.47 86.6 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -58.66 91.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.625 ' CD2' ' SD ' ' A' ' 68' ' ' MET . 3.6 m-30 -105.44 -40.41 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.452 ' N ' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -45.88 -18.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 95' ' ' PHE . 16.0 tpt180 -85.99 -53.11 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' HG11 ' A' ' 99' ' ' VAL . 11.3 tptt -174.66 144.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.588 HG12 ' CG ' ' A' ' 95' ' ' PHE . 5.1 m -150.44 175.54 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 117' ' ' ILE . 1.3 mt-30 -158.65 101.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.198 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.2 OUTLIER -95.12 141.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.486 ' N ' HG13 ' A' ' 101' ' ' ILE . 1.6 m-80 -130.22 79.98 1.93 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.593 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 19.5 p-10 -61.33 80.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -103.49 73.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 106' ' ' ASP . 0.4 OUTLIER -142.62 -161.42 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.138 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.617 ' O ' ' OG1' ' A' ' 107' ' ' THR . 3.1 p-10 165.68 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.617 ' OG1' ' O ' ' A' ' 106' ' ' ASP . 2.7 p 70.37 -5.17 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.433 1.083 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.442 ' H ' ' C ' ' A' ' 106' ' ' ASP . 9.7 t-20 -62.4 -7.67 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -153.95 -22.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -110.02 -175.21 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.46 ' CE ' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -70.53 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.46 ' CD2' ' CE ' ' A' ' 111' ' ' LYS . 0.5 OUTLIER -178.98 76.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.56 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 126' ' ' PHE . . . -156.6 158.22 36.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.593 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -128.12 178.24 6.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 111.092 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 22.2 pt-20 -106.19 128.35 53.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.735 ' CD1' ' CD2' ' A' ' 126' ' ' PHE . 1.4 mp -106.94 166.07 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 100' ' ' GLN . 33.0 mt -147.81 78.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.346 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 2.5 pp -79.71 176.57 9.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 118' ' ' LEU . 8.9 tptp -53.84 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 52.69 19.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 43.91 65.46 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -132.83 136.56 46.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.36 148.3 29.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.994 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -130.63 178.11 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.561 ' CG2' ' CG1' ' A' ' 53' ' ' VAL . 1.8 mp -141.32 85.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.735 ' CD2' ' CD1' ' A' ' 116' ' ' ILE . 3.9 m-85 -80.19 146.05 31.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.488 ' CB ' ' HB3' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -125.0 107.73 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.937 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.672 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -108.77 161.69 14.88 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -129.32 2.14 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.242 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 131' ' ' ALA . 1.3 m -114.34 108.66 17.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.058 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 130' ' ' SER . . . -36.64 -39.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.18 -57.78 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.744 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 38.2 mm-40 -44.94 -40.45 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -62.1 -38.39 88.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.406 1.066 . . . . 0.0 109.38 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 30.8 t-20 -82.63 -37.79 24.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 140' ' ' ALA . 1.3 m-20 -75.19 -26.05 58.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.763 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 38.7 m0 -69.87 -48.55 58.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 1.165 . . . . 0.0 108.042 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.438 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -77.66 -48.89 15.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -53.15 -45.02 68.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 136' ' ' ASN . . . -58.53 -42.89 88.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -63.68 -46.63 84.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 mm -69.16 -16.68 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.3 t -68.45 -40.98 80.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 63' ' ' LEU . 18.0 mt -70.05 -64.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -23.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.52 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.1 OUTLIER -68.42 -30.9 69.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -87.42 46.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.28 35.02 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.03 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.372 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.52 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 2.1 pp -75.16 -3.21 31.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.536 0.208 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -48.19 68.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.78 -19.07 63.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.61 HG13 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -85.99 -38.47 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.506 ' OE1' ' CD2' ' A' ' 32' ' ' TRP . 5.3 mt-30 -60.61 -34.44 74.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -94.41 32.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.65 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 1.7 m-80 -164.07 24.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 30' ' ' ASP . 1.8 pp -112.29 -127.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.509 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -164.29 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.538 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -106.59 5.92 38.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.563 ' CH2' HG22 ' A' ' 37' ' ' ILE . 13.6 t-105 31.76 76.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' HG3' ' CG ' ' A' ' 92' ' ' GLU . 10.8 mm-40 -44.34 168.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.87 142.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.597 1.186 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.12 21.67 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.793 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER 176.37 -176.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.563 HG22 ' CH2' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -137.16 116.9 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.384 1.052 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.3 -34.65 4.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -73.63 -42.33 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 14.6 p -108.72 -27.63 9.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 42' ' ' ASN . 0.8 OUTLIER 160.29 -169.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 12.9 t-20 83.23 35.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -61.26 -5.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.673 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 3.8 m-85 59.25 116.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 144' ' ' LEU . 1.6 mt -105.83 -63.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 63' ' ' LEU . 17.3 ptt? -125.56 132.92 52.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.587 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 2.1 pp20? -123.2 116.68 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -171.0 163.78 36.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.428 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -113.59 125.92 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 110.367 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.731 ' HG ' ' CE3' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -120.82 156.95 30.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 125' ' ' ILE . 0.7 OUTLIER -103.21 122.82 45.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.5 ttt-85 -78.86 92.72 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.54 ' CG1' ' N ' ' A' ' 54' ' ' GLY . 0.9 OUTLIER -62.28 167.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.54 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 100.85 -18.32 55.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . -159.1 24.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.9 pttp 36.78 77.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.36 146.03 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.621 1.201 . . . . 0.0 109.635 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 73' ' ' SER . 12.4 tt0 -112.7 154.52 26.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HB3' ' HA ' ' A' ' 72' ' ' LYS . 11.1 ptp180 -163.94 128.46 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.91 96.03 2.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.629 1.205 . . . . 0.0 109.643 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.636 ' CG1' HD11 ' A' ' 50' ' ' LEU . 38.6 mm -69.05 152.47 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.673 ' CE1' ' CD1' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -170.59 89.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.081 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -75.02 123.33 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.576 ' CE2' HG22 ' A' ' 69' ' ' ILE . 9.9 m-30 -98.31 148.21 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.447 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.7 t0 -57.08 -12.69 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -95.32 -41.73 3.89 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.592 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -175.84 150.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.356 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -67.64 134.19 50.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.576 HG22 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -137.69 133.44 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.465 ' CB ' HD11 ' A' ' 61' ' ' ILE . 31.0 p -125.53 130.56 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.316 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.9 m -93.77 114.75 27.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -66.29 128.71 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.376 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.558 ' OG ' ' CZ ' ' A' ' 88' ' ' TYR . 16.8 t -126.58 139.93 52.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -163.67 37.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.87 -88.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.604 ' O ' ' CE1' ' A' ' 88' ' ' TYR . . . -165.26 -178.42 38.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 1.4 pt20 -135.02 78.09 54.46 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.428 ' CG ' ' OE2' ' A' ' 87' ' ' GLU . 18.1 Cg_endo -74.97 144.04 29.87 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 ttp85 -157.67 16.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 7.7 mt -66.72 -44.43 53.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -74.98 -2.18 12.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 81' ' ' PRO . . . 34.14 85.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' SER . . . 179.67 173.76 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 49.0 m -37.83 142.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.959 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 84' ' ' SER . 2.5 m-20 156.18 86.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . -103.06 54.24 0.76 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 86' ' ' ALA . 32.5 mt-10 -30.47 -57.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.65 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 11.2 m-30 -64.86 -168.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HB3' ' CG ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -146.96 115.98 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.543 ' CD1' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.3 153.86 17.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.408 ' HB3' ' SG ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -138.07 109.91 7.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 1.3 mt-10 -69.04 130.47 42.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -134.03 76.65 1.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.614 ' CZ ' ' HB3' ' A' ' 92' ' ' GLU . 2.0 m-85 -71.6 71.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.646 ' CE1' ' CG ' ' A' ' 120' ' ' ASP . 2.0 m-85 -138.6 -2.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.573 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -46.85 -40.82 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -64.27 -4.24 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HG3' ' CB ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -171.19 101.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 1.2 m -136.84 170.04 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.9 OUTLIER -151.86 122.51 7.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -116.26 138.52 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 115' ' ' GLU . 1.1 m120 -137.79 111.12 7.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.417 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 37.8 p-10 -79.38 93.59 5.37 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.21 88.45 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -172.61 -149.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.503 ' O ' ' CG2' ' A' ' 107' ' ' THR . 1.3 t0 -158.09 -160.57 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.649 ' CG2' ' CG ' ' A' ' 112' ' ' HIS . 45.4 p -156.94 -144.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.582 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 0.7 OUTLIER 38.62 29.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.582 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 4.6 tt0 153.55 -25.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -105.24 -174.61 2.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.7 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -111.53 102.44 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.649 ' CG ' ' CG2' ' A' ' 107' ' ' THR . 0.2 OUTLIER -51.09 75.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.623 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.7 ' N ' ' O ' ' A' ' 111' ' ' LYS . . . -104.74 143.52 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.648 ' N ' ' CD1' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -117.04 132.89 56.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.055 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' ASN . 1.2 pt-20 -79.65 90.65 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.699 ' CD1' ' CD2' ' A' ' 126' ' ' PHE . 2.6 mp -77.73 158.55 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 26.3 mt -155.15 104.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 120' ' ' ASP . 0.0 OUTLIER -80.85 142.24 33.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.469 ' CB ' ' HG3' ' A' ' 98' ' ' LYS . 1.4 tmtt? -41.39 -28.84 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.646 ' CG ' ' CE1' ' A' ' 95' ' ' PHE . 8.1 t0 -51.21 -17.9 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 0.7 OUTLIER 92.27 16.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.55 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 25.0 t30 -102.69 167.47 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.609 1.193 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.44 ' C ' ' CG2' ' A' ' 124' ' ' VAL . 2.5 p -132.96 162.75 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.489 ' O ' ' CD1' ' A' ' 125' ' ' ILE . 0.1 OUTLIER -153.64 174.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.53 HG23 ' CG1' ' A' ' 53' ' ' VAL . 3.7 mm -143.59 82.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.699 ' CD2' ' CD1' ' A' ' 116' ' ' ILE . 22.3 m-30 -78.96 113.73 17.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -97.26 111.14 23.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.78 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -100.61 166.96 10.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.611 1.195 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -128.28 0.44 5.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.532 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 4.4 t -118.92 118.02 30.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.387 1.054 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' ' 134' ' ' LYS . . . -48.3 -33.5 8.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.08 -45.15 51.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.242 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.691 ' O ' ' N ' ' A' ' 137' ' ' TRP . 9.4 mm-40 -62.15 -41.21 98.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -59.16 -38.37 79.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 5.8 t30 -80.24 -40.49 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.13 -16.72 59.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.78 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 32.8 m0 -79.74 -44.62 20.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.45 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -82.92 -43.04 16.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.094 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -57.52 -46.84 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.456 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -55.3 -45.66 76.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.96 -49.99 68.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.443 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 1.1 mm -66.52 -17.31 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -68.18 -40.56 82.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.573 ' HB3' ' O ' ' A' ' 96' ' ' MET . 89.5 mt -71.42 -60.41 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -47.9 -22.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.504 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.1 OUTLIER -73.51 -25.56 60.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.4 ttt85 -84.19 8.86 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.83 31.47 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -38.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER -105.73 -158.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 27.8 mmm . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.494 0.188 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.413 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 1.4 p-10 -70.58 -62.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.405 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -56.37 -19.02 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.83 -37.42 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 3.7 mt-30 -57.77 -17.95 18.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.502 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -89.55 11.14 20.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.387 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.69 ' ND2' ' CE2' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -128.4 -30.48 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.544 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.7 pp -56.08 -149.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.5 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -149.77 -68.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -118.24 12.31 12.72 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.638 ' C ' ' O ' ' A' ' 31' ' ' GLY . 41.1 t-105 21.04 -95.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER 178.13 -148.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' O ' ' OD1' ' A' ' 36' ' ' ASP . . . -53.64 -166.42 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' O ' ' CD ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -68.5 -8.44 41.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.597 ' OD1' ' CD1' ' A' ' 32' ' ' TRP . 0.0 OUTLIER 60.99 133.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 37' ' ' ILE . 4.2 mp -143.68 39.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.41 ' HA2' ' ND2' ' A' ' 42' ' ' ASN . . . 42.04 36.05 1.83 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -106.92 -25.67 11.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.408 ' C ' ' HA3' ' A' ' 66' ' ' GLY . 1.6 m -142.16 31.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 p 167.54 92.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 108.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.41 ' ND2' ' HA2' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -166.21 29.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 45' ' ' ILE . 2.9 tp10 -171.54 75.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.611 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 32.3 p90 -45.95 94.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 4.1 mm -40.86 -56.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.486 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 2.3 ptt? -133.98 148.72 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.15 113.73 16.76 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -165.35 163.54 36.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.629 ' HB ' ' CD2' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -112.75 130.88 55.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.381 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.743 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 0.9 OUTLIER -127.61 160.95 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -115.65 125.51 52.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.389 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.2 OUTLIER -83.16 104.06 13.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.578 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 2.6 t -83.87 72.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 55' ' ' ALA . . . -151.59 9.53 0.67 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 54' ' ' GLY . . . 164.61 39.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 45.96 75.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -133.07 135.45 45.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.609 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -143.73 138.22 28.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.751 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -175.86 -174.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.629 ' CD2' ' HB ' ' A' ' 49' ' ' THR . 6.7 m-70 -91.93 151.42 20.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.529 HD11 ' CB ' ' A' ' 70' ' ' CYS . 37.5 mm -126.26 128.31 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.448 ' O ' ' O ' ' A' ' 69' ' ' ILE . 3.6 m-85 -131.96 111.89 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -96.9 117.59 31.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.638 ' CE2' HG23 ' A' ' 69' ' ' ILE . 15.5 m-30 -87.3 150.46 23.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -67.41 0.75 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -111.17 -31.98 2.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.514 ' CD1' ' C ' ' A' ' 93' ' ' LYS . 0.1 OUTLIER -172.13 138.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 109.252 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 93' ' ' LYS . 2.2 ttp -76.77 121.19 22.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.638 HG23 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -126.56 145.72 33.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.529 ' CB ' HD11 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -136.61 126.56 25.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 108.257 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.751 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 6.0 p -100.51 102.98 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.583 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -93.32 150.53 20.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 109.233 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.51 ' CB ' ' HD3' ' A' ' 59' ' ' ARG . 7.1 t -146.89 165.71 28.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' HIS . 4.1 t-20 -115.44 32.29 6.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 74' ' ' ASN . 5.3 t60 36.83 70.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.603 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.402 ' HA3' ' NH1' ' A' ' 79' ' ' ARG . . . -84.23 114.45 3.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -42.81 -53.09 10.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 110.324 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -75.01 -165.47 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.565 1.824 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.445 ' CG ' ' HB1' ' A' ' 83' ' ' ALA . 0.1 OUTLIER 70.47 18.41 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.587 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -57.43 -47.09 99.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -74.98 0.54 8.78 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.579 1.831 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.2 94.31 1.29 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.445 ' HB1' ' CG ' ' A' ' 79' ' ' ARG . . . -75.3 81.84 2.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.534 0.785 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.469 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 0.2 OUTLIER 81.15 13.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.978 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER 60.82 140.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 29' ' ' ILE . . . 84.19 50.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' ALA . 15.9 mt-10 -35.67 -54.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.69 ' CE2' ' ND2' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -78.05 -175.73 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -130.21 110.45 11.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.539 ' CD1' ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -66.34 142.92 57.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.44 ' N ' HD21 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -120.02 99.57 6.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.29 99.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.514 ' C ' ' CD1' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -106.0 78.97 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.442 ' N ' HD12 ' A' ' 67' ' ' LEU . 3.4 p90 -78.6 70.64 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.514 ' CD2' HD11 ' A' ' 118' ' ' LEU . 4.3 m-85 -137.87 -6.85 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.528 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -43.83 -42.43 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -16.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -171.99 99.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 96' ' ' MET . 1.9 m -122.82 -178.78 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.457 ' O ' ' O ' ' A' ' 117' ' ' ILE . 1.0 OUTLIER -162.74 100.48 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.215 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -88.61 139.42 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 104' ' ' LYS . 12.1 t30 -123.7 79.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.615 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 21.0 p-10 -62.43 79.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -83.26 76.96 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.24 166.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.755 ' O ' ' N ' ' A' ' 108' ' ' ASN . 1.3 m-20 -178.12 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.643 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 15.32 -77.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.755 ' N ' ' O ' ' A' ' 106' ' ' ASP . 13.4 m-80 -32.25 -32.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.9 tt0 -114.98 -26.16 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.207 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.552 ' O ' ' O ' ' A' ' 107' ' ' THR . 8.8 m-30 -108.76 -168.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.67 -80.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -175.69 79.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.55 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.466 ' CB ' ' OG ' ' A' ' 127' ' ' SER . . . -169.21 167.31 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.615 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -137.12 169.97 16.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.24 124.94 43.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 101' ' ' ILE . 2.7 mm -99.56 163.99 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.457 ' O ' ' O ' ' A' ' 100' ' ' GLN . 30.5 mt -151.41 94.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -103.28 164.63 11.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -47.92 178.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 28.0 t0 66.64 8.93 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 52.87 74.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -149.96 122.26 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 71.4 p -100.38 150.28 22.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.427 ' C ' HG13 ' A' ' 125' ' ' ILE . 0.9 OUTLIER -125.86 172.32 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.398 1.061 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 3.2 mt -135.65 80.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD2' HG13 ' A' ' 116' ' ' ILE . 4.1 m-85 -79.67 133.46 36.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.498 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 35.8 m -111.67 110.76 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.769 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -116.26 146.21 42.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -111.07 -9.94 14.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.82 110.47 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.8 -35.7 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -45.55 69.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.718 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -61.47 -39.3 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.433 ' HG3' ' CE1' ' A' ' 114' ' ' PHE . 7.7 ttpt -59.76 -36.97 77.75 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.522 1.139 . . . . 0.0 109.213 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 50.2 t-20 -84.77 -37.5 20.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -75.61 -24.8 56.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.197 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.769 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 42.3 m0 -72.22 -48.94 39.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.005 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.4 OUTLIER -76.1 -49.21 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -49.66 -43.59 47.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.486 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -60.68 -42.54 97.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.461 ' CD2' HG22 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -66.19 -48.48 70.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 5.5 mm -64.55 -20.43 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.52 -36.81 76.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.539 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 62.0 mt -70.28 -61.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.6 -22.18 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.216 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.509 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.1 OUTLIER -74.75 -26.96 60.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.94 36.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.04 28.76 8.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.67 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER -91.75 -159.79 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 179.923 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.422 ' CE ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.493 0.187 . . . . 0.0 111.032 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.422 ' OD1' ' CE ' ' A' ' 22' ' ' MET . 2.0 p-10 -68.87 -58.47 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.187 . . . . 0.0 109.223 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -17.26 29.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.644 HD13 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -90.22 -39.03 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.3 mm-40 -42.81 -29.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.53 53.46 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.639 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 2.9 t-20 -176.13 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.52 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 2.2 pp -59.63 -151.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' N ' HD11 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -144.08 -74.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -111.22 14.38 28.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.491 ' C ' ' O ' ' A' ' 31' ' ' GLY . 47.8 t-105 35.74 -94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' A' ' 31' ' ' GLY . 1.1 tt0 -173.94 -140.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.6 29.99 2.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mptt 61.27 22.49 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 0.794 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.46 177.61 7.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -116.9 59.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 41' ' ' CYS . . . 71.52 -1.66 27.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.483 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 29.9 mt-30 77.8 -0.78 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.79 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.498 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 40.8 t 161.27 36.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 108.309 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 42' ' ' ASN . 30.0 p -179.76 119.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 108.324 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER 150.15 34.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -73.78 -145.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -134.33 95.32 3.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 65' ' ' ASP . 3.0 mt -75.51 -67.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.408 ' SD ' ' HB3' ' A' ' 140' ' ' ALA . 3.1 mtt -139.06 130.11 26.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.572 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 11.5 pt-20 -109.45 137.5 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.92 162.21 34.39 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.419 1.074 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.508 ' CG2' ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -112.22 112.91 24.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.675 ' CD2' ' CE3' ' A' ' 137' ' ' TRP . 4.1 mp -110.4 136.36 49.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.473 HG23 ' CB ' ' A' ' 127' ' ' SER . 0.9 OUTLIER -90.39 130.92 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.439 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -86.23 80.71 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.591 ' CG1' ' N ' ' A' ' 54' ' ' GLY . 1.0 OUTLIER -62.19 173.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.591 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 104.15 10.25 34.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 54' ' ' GLY . . . 89.27 47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.24 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -121.94 -105.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.461 ' H ' ' HB3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -174.86 -175.89 0.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 6.8 mt-10 -85.16 164.76 17.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.461 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 5.9 mtp180 -158.25 132.53 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.508 ' HA ' ' CG2' ' A' ' 49' ' ' THR . 3.0 t60 -85.36 92.42 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.499 ' HB ' ' CD1' ' A' ' 50' ' ' LEU . 39.5 mm -67.74 157.24 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.644 ' CD2' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -170.04 84.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.605 ' CD1' ' CD1' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -70.48 123.56 22.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.589 ' CE2' HG22 ' A' ' 69' ' ' ILE . 14.4 m-30 -100.52 153.14 19.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.487 ' N ' HG13 ' A' ' 45' ' ' ILE . 13.0 t0 -67.59 56.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.621 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 173.51 -41.24 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 66' ' ' GLY . 66.4 mt -164.19 128.76 2.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 0.724 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.664 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -88.2 141.1 28.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.589 HG22 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -130.89 157.89 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.0 p -128.07 128.79 45.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.326 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 90' ' ' LEU . 2.5 m -90.13 125.64 35.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.335 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 4.2 tttp -71.57 103.81 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.583 ' OG ' ' CE2' ' A' ' 88' ' ' TYR . 58.1 m -110.18 107.96 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.45 ' HA ' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -122.49 -152.8 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -127.22 113.88 16.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.564 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.27 -165.41 38.77 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -121.77 133.76 24.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.558 0.799 . . . . 0.0 110.295 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.3 Cg_endo -75.01 -170.24 0.75 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.512 1.796 . . . . 0.0 110.96 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER 79.67 15.72 0.88 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 1.3 mt -79.26 -47.15 1.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.06 -0.59 10.17 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.08 75.09 1.28 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.423 1.077 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.485 ' O ' ' CG ' ' A' ' 79' ' ' ARG . . . -169.64 -160.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 0.787 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 5.4 t -170.76 80.23 0.08 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 84' ' ' SER . 6.4 m-20 153.52 146.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.219 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.561 ' HA ' ' N ' ' A' ' 28' ' ' ASN . . . 81.3 51.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 86' ' ' ALA . 19.7 mt-10 -34.48 -50.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.639 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 14.0 m-30 -88.71 -177.26 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -131.73 110.73 11.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -66.46 148.7 51.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.3 126.65 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.256 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.32 128.13 35.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.1 mptp? -138.32 88.37 2.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -58.77 90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.664 ' CE2' ' SD ' ' A' ' 68' ' ' MET . 3.3 m-85 -104.2 -50.36 3.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.453 ' N ' HD11 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -43.12 -21.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -82.33 -52.42 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.433 ' O ' ' CG1' ' A' ' 99' ' ' VAL . 8.1 tttp -173.94 148.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.554 ' CG1' ' HA ' ' A' ' 95' ' ' PHE . 11.4 m -154.79 -177.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.8 mt-30 -165.74 102.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.545 ' CD1' ' CD1' ' A' ' 116' ' ' ILE . 0.6 OUTLIER -90.06 106.75 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 0.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.33 88.18 3.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.602 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 13.1 p-10 -69.46 95.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 109.216 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.05 80.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.688 ' CB ' ' O ' ' A' ' 113' ' ' ALA . 2.0 t70 -158.63 -148.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.541 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 1.5 t0 -172.62 -157.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 106' ' ' ASP . 17.3 p -158.49 -60.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -44.96 -23.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.254 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 107' ' ' THR . 33.7 tt0 -128.68 -10.14 5.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.541 ' CD1' ' HB3' ' A' ' 106' ' ' ASP . 2.5 m-85 -129.01 -170.29 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.6 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 4.1 tttt -80.3 -96.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.6 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 24.3 p80 178.44 78.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.384 1.053 . . . . 0.0 109.617 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.688 ' O ' ' CB ' ' A' ' 105' ' ' ASP . . . -153.39 -172.58 4.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.602 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -170.63 166.61 8.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.63 120.27 26.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.57 HG13 ' CD2' ' A' ' 126' ' ' PHE . 1.3 mm -107.23 124.54 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 100' ' ' GLN . 21.6 mt -111.46 128.51 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -115.58 140.14 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.503 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -44.13 -25.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -57.02 -7.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.503 ' H ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 73.01 42.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.01 142.09 34.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -108.53 151.8 25.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 1.5 t -140.29 175.08 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.483 ' CG2' HG11 ' A' ' 53' ' ' VAL . 8.3 mt -130.63 80.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PHE . . . . . 0.644 ' CD2' ' CD2' ' A' ' 50' ' ' LEU . 10.2 m-30 -74.43 132.56 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.55 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -113.82 109.36 18.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.954 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.741 ' CB ' ' CZ3' ' A' ' 137' ' ' TRP . . . -107.5 132.11 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.02 -4.09 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -108.75 108.77 19.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -42.9 -38.85 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -68.27 -42.59 79.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.722 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 13.2 mt-10 -61.84 -40.22 94.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 5.6 ttpt -61.18 -34.67 75.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.462 ' O ' ' HG3' ' A' ' 138' ' ' MET . 5.2 t-20 -85.07 -36.16 21.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -79.74 -23.16 42.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.741 ' CZ3' ' CB ' ' A' ' 128' ' ' ALA . 41.2 m0 -73.18 -50.01 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.003 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -68.12 -54.31 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -51.62 -43.23 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 136' ' ' ASN . . . -61.24 -38.7 87.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.539 HD12 ' CD2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -71.66 -52.91 15.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.51 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 10.9 mm -68.02 -15.04 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.173 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 139' ' ' ALA . 9.3 t -69.31 -45.42 69.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.605 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 24.8 mt -70.19 -63.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.415 ' O ' ' OE1' ' A' ' 145' ' ' GLN . 0.0 OUTLIER -45.7 -24.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -72.09 -27.79 62.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -94.62 35.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.3 t -113.99 27.96 9.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.26 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp -88.67 -0.6 57.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.492 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' N ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -101.32 43.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.461 ' ND2' ' CD1' ' A' ' 88' ' ' TYR . 2.0 t-20 -177.04 21.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.779 HG22 ' HB3' ' A' ' 90' ' ' LEU . 2.0 pp -123.18 -130.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HB3' ' CD1' ' A' ' 90' ' ' LEU . 1.3 t0 -165.78 -88.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.558 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -99.6 13.16 61.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.637 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 17.5 t-105 . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.638 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 42.2 p90 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.491 0.186 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 4.2 mt -54.98 -56.11 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.991 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -125.6 127.6 46.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.67 115.21 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.49 163.09 36.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.407 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -116.37 122.43 44.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.406 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.861 HD22 ' CD2' ' A' ' 126' ' ' PHE . 3.4 mp -113.93 145.23 41.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.604 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -97.82 140.48 32.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 2.1 ttm-85 -93.22 102.19 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 53' ' ' VAL . 3.1 t -78.05 70.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.707 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -148.5 7.05 0.94 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 160.58 40.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? 44.32 74.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -138.97 144.43 38.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.579 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 73' ' ' SER . 7.1 pt-20 -127.19 158.41 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.421 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 2.4 ptm180 -162.16 139.26 8.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -81.25 97.59 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.555 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.754 HG13 HD13 ' A' ' 50' ' ' LEU . 50.5 mm -67.82 148.67 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.616 ' O ' HG22 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -158.03 85.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.991 HD23 ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -72.15 114.45 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.729 ' CZ ' HG21 ' A' ' 69' ' ' ILE . 12.8 m-30 -91.45 151.68 20.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.435 ' CA ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -63.22 -1.95 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -111.15 -34.03 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -173.87 179.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.582 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -100.71 131.35 46.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -129.62 119.3 47.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.528 ' N ' HD13 ' A' ' 69' ' ' ILE . 10.6 m -105.29 114.49 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 108.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 69' ' ' ILE . 8.8 m -86.6 102.29 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 108.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -57.57 149.97 20.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.584 ' OG ' ' CE2' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -153.73 110.77 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.5 t30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -41.94 -28.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.584 ' CE2' ' OG ' ' A' ' 73' ' ' SER . 13.5 m-85 -95.71 -164.93 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -153.16 110.55 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.779 ' HB3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.86 125.21 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -112.86 124.94 53.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -60.13 122.43 14.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.714 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -145.08 74.39 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 67' ' ' LEU . 7.0 p90 -89.27 77.74 7.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.257 ' CE2' HD22 ' A' ' 118' ' ' LEU . 2.2 p90 -140.55 -19.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.904 ' HB3' HD12 ' A' ' 144' ' ' LEU . 2.0 mmt -39.57 -28.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' PHE . 1.2 ttt180 -59.99 -9.99 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' PHE . 19.4 tttt -173.87 84.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.68 ' CG1' ' HA ' ' A' ' 96' ' ' MET . 5.9 m -98.13 -176.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -166.24 79.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.779 HD12 HD12 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -74.8 143.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -141.81 89.68 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.651 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 12.2 p-10 -60.08 80.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 102' ' ' ASN . 12.7 tttm -100.63 80.06 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 5.9 t70 -142.61 178.21 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.792 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.5 OUTLIER -147.22 15.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.1 OUTLIER 13.69 -74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.792 ' N ' ' O ' ' A' ' 106' ' ' ASP . 4.7 m-20 -32.35 -31.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.5 tt0 -113.32 -29.73 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.603 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.6 m-30 -107.85 -168.77 1.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.675 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -80.96 -91.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.7 t-80 -175.38 76.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' A' ' 126' ' ' PHE . . . -159.0 157.22 30.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.702 ' HD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -141.23 176.84 8.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.545 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -95.21 133.18 39.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.779 HD12 HD12 ' A' ' 101' ' ' ILE . 0.7 OUTLIER -116.17 116.66 53.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 100' ' ' GLN . 18.4 mt -102.15 89.46 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.257 HD22 ' CE2' ' A' ' 95' ' ' PHE . 4.5 pp -89.68 163.68 15.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.899 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.6 -175.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.4 t0 59.82 14.47 4.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 49.78 79.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.06 126.95 9.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -102.44 141.19 35.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 125' ' ' ILE . 0.3 OUTLIER -125.23 179.07 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.793 HG22 ' HB ' ' A' ' 53' ' ' VAL . 51.9 mt -139.75 81.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.861 ' CD2' HD22 ' A' ' 50' ' ' LEU . 12.7 m-30 -73.13 157.69 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.604 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -139.23 104.61 5.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.95 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.122 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -105.03 160.3 15.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -132.17 7.42 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.512 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 1.6 m -120.99 110.83 16.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -41.96 -36.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -72.9 -45.69 56.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.681 ' O ' ' N ' ' A' ' 137' ' ' TRP . 35.6 mm-40 -59.15 -43.76 92.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -58.27 -40.1 80.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 4.1 t-20 -77.74 -40.55 40.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.7 OUTLIER -76.23 -18.13 59.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.122 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 35.4 m0 -78.18 -44.43 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.651 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -84.17 -33.93 24.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -65.12 -43.9 90.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.91 91.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.575 HD23 ' HB ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -66.24 -45.93 78.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.532 HG23 ' CE1' ' A' ' 146' ' ' TYR . 14.5 mm -66.3 -17.94 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 146' ' ' TYR . 7.8 t -68.36 -51.97 38.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.904 HD12 ' HB3' ' A' ' 96' ' ' MET . 1.4 mt -71.67 -58.22 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 3.6 tm0? -44.94 -25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.583 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.6 OUTLIER -73.36 -28.22 61.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.3 ttp85 -82.38 7.6 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.52 32.9 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.97 -36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.517 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 56.7 mt-30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -91.21 8.61 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.649 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 7.6 m-20 -127.89 -27.98 2.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.06 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.5 pp -57.41 -150.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.583 ' N ' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -160.68 -44.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.861 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -131.19 44.41 1.21 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.779 ' HE3' HG21 ' A' ' 29' ' ' ILE . 66.5 t-105 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' ILE . 4.5 p90 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.478 0.18 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.585 HG21 HD21 ' A' ' 63' ' ' LEU . 1.1 mm -39.59 -51.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.924 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -139.32 138.76 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 1.2 pm0 -123.57 121.3 35.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -172.65 166.51 39.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.32 119.83 35.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.952 HD13 HG13 ' A' ' 61' ' ' ILE . 3.8 mp -109.52 139.04 45.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -89.8 143.66 26.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 10.8 ttt85 -94.88 99.27 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.869 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.4 t -82.61 75.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.687 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -164.57 24.71 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.49 -25.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 16.7 ttmt 98.54 76.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 6.3 m80 -149.86 150.27 31.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.613 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 19.4 mt-10 -111.76 154.89 24.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.508 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -148.32 114.25 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' CYS . 4.8 t60 -68.6 90.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.952 HG13 HD13 ' A' ' 50' ' ' LEU . 12.6 mm -62.78 148.58 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.452 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -166.74 78.41 0.21 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.924 HD23 ' HG2' ' A' ' 46' ' ' MET . 0.0 OUTLIER -69.29 131.17 44.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.828 ' N ' HD12 ' A' ' 63' ' ' LEU . 12.2 m-85 -107.49 141.65 38.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -46.6 -24.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -85.98 -36.43 10.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 68' ' ' MET . 0.2 OUTLIER -174.19 157.4 2.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 0.737 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.678 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 4.1 tpt -83.42 118.8 23.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.972 HG13 HD23 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -108.7 118.76 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.53 ' HB2' ' HE3' ' A' ' 68' ' ' MET . 3.8 t -103.91 95.37 5.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 108.362 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 60' ' ' HIS . 4.1 m -75.38 123.12 24.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.508 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 13.9 tttt -97.35 128.06 43.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 58' ' ' GLU . 84.1 p -125.19 136.56 53.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t30 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.06 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 86' ' ' ALA . 32.8 mt-10 -29.31 -46.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.649 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 1.6 m-30 -92.2 -138.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.529 ' HA ' ' HB2' ' A' ' 30' ' ' ASP . 16.1 mtt85 -156.45 166.57 33.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 110.229 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.986 HD22 ' N ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -123.01 149.33 44.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.986 ' N ' HD22 ' A' ' 90' ' ' LEU . 2.7 mttt -130.16 108.03 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.38 118.43 5.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.641 1.213 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.627 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -143.19 86.39 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.17 79.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.721 ' CG ' HG11 ' A' ' 99' ' ' VAL . 4.9 m-30 -76.28 -43.19 42.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.517 ' N ' HD13 ' A' ' 144' ' ' LEU . 12.0 tmm? -41.55 -23.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -82.46 -53.51 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -178.66 143.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.868 HG22 ' HB2' ' A' ' 145' ' ' GLN . 10.4 m -142.94 -178.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -157.76 77.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -77.43 116.89 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.418 ' N ' HD13 ' A' ' 101' ' ' ILE . 4.8 t30 -119.8 100.73 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.641 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 22.2 p-10 -72.3 78.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.42 ' CB ' ' HG2' ' A' ' 115' ' ' GLU . 3.0 tptm -90.85 79.74 5.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 7.4 t0 -148.92 170.91 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.784 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -143.71 14.84 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.3 OUTLIER 15.69 -76.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.612 1.195 . . . . 0.0 110.446 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.784 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.9 m-20 -31.95 -32.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.7 tt0 -112.8 -30.26 7.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.546 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.9 m-30 -106.53 -163.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -86.08 -93.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.241 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.507 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -173.7 79.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.611 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.928 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -164.26 153.47 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.677 ' CD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -140.09 174.54 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.624 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -101.02 117.88 35.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.74 HD12 HG12 ' A' ' 101' ' ' ILE . 3.7 mm -103.75 127.51 57.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 100' ' ' GLN . 62.3 mt -112.67 102.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.583 HD13 ' HG2' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -101.0 179.34 4.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.21 -173.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 51.48 20.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER 41.5 69.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -132.85 133.29 43.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.9 OUTLIER -105.38 144.23 32.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.463 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.2 t -129.79 174.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.747 HG21 ' O ' ' A' ' 53' ' ' VAL . 2.9 mt -135.69 78.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.718 ' CD2' HD22 ' A' ' 50' ' ' LEU . 15.3 m-30 -77.0 155.0 32.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.928 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 18.4 m -137.3 114.21 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.205 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.7 148.97 32.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -115.08 -8.05 12.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.477 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 1.2 t -106.13 111.64 24.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.42 -36.74 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -69.66 -41.77 75.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.704 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 88.6 mt-10 -62.6 -40.12 95.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.236 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -60.56 -35.34 75.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.527 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 1.1 t30 -84.41 -39.25 19.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.7 OUTLIER -75.91 -22.06 56.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.205 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 38.3 m0 -74.05 -48.36 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -76.75 -50.81 12.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -49.61 -44.57 47.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.69 99.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -67.22 -44.87 78.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.455 HG12 ' CG2' ' A' ' 101' ' ' ILE . 15.4 mm -69.52 -17.66 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -44.74 74.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.874 HD11 HD13 ' A' ' 63' ' ' LEU . 11.6 mt -69.32 -63.73 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.868 ' HB2' HG22 ' A' ' 99' ' ' VAL . 2.6 tt0 -42.35 -26.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.828 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.4 OUTLIER -73.66 -37.59 65.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -80.8 50.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.09 29.66 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -177.01 -37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.1 pp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 29' ' ' ILE . 2.2 mm-40 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.01 52.36 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.624 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 2.8 m-20 -157.82 -39.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.093 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.7 pp -51.2 -167.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HB2' ' HA ' ' A' ' 89' ' ' ARG . 1.0 OUTLIER -152.48 -64.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.864 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -112.45 36.1 4.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.1 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.751 ' C ' ' O ' ' A' ' 31' ' ' GLY . 52.5 t-105 . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.415 0.15 . . . . 0.0 110.966 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.748 HG22 ' HG3' ' A' ' 46' ' ' MET . 8.2 mm -69.64 -74.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.748 ' HG3' HG22 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -137.64 131.23 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 12.7 pt-20 -110.5 120.39 42.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -158.11 160.27 30.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.544 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -113.27 118.47 34.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.414 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.931 HD13 HG13 ' A' ' 61' ' ' ILE . 4.6 mp -114.17 143.65 44.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.542 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.9 OUTLIER -98.07 141.16 31.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.9 ttt-85 -93.5 99.02 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.879 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.4 t -84.6 76.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.702 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -161.64 24.0 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.586 1.179 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.2 -22.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.645 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 18.2 ttmt 99.35 78.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 23.0 m80 -150.25 148.74 29.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 109.558 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 73' ' ' SER . 1.2 pt-20 -129.3 158.14 39.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 ptp85 -163.68 136.03 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.544 ' CG ' ' HB ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -79.06 93.9 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.931 HG13 HD13 ' A' ' 50' ' ' LEU . 15.8 mm -59.73 157.21 2.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -170.45 83.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.088 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -73.23 132.33 43.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.74 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 10.2 m-30 -102.86 158.66 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.468 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 12.1 t0 -63.03 -13.32 34.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.06 -38.03 3.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.803 ' C ' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -176.14 141.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.852 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 1.2 tmt? -66.71 133.03 49.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.74 HD12 ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -140.71 153.28 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.234 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.772 ' CB ' HD13 ' A' ' 61' ' ' ILE . 3.5 p -138.84 166.06 25.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.521 ' SG ' ' CB ' ' A' ' 60' ' ' HIS . 7.9 p -120.61 108.66 14.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 108.285 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -61.41 123.71 18.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.62 ' OG ' ' CE1' ' A' ' 88' ' ' TYR . 12.9 t -126.04 129.94 50.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.093 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 86' ' ' ALA . 21.0 mt-10 -33.21 -44.83 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.624 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 13.8 m-30 -89.64 -161.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -148.91 123.23 9.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.974 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.76 155.3 16.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.83 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -138.82 147.04 42.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.73 137.77 36.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.1 mttp -150.92 88.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -59.25 82.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.893 ' CE1' HD22 ' A' ' 118' ' ' LEU . 6.3 m-30 -96.8 -45.47 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.485 ' N ' HD13 ' A' ' 144' ' ' LEU . 12.3 tmm? -41.07 -23.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -84.26 -50.86 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.248 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -175.37 148.4 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.831 HG22 ' HB3' ' A' ' 145' ' ' GLN . 19.6 m -150.21 -177.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 117' ' ' ILE . 2.2 tm0? -167.95 98.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 1.085 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -93.46 137.02 23.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 104' ' ' LYS . 28.7 t30 -127.15 78.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.634 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 1.1 p-10 -59.5 82.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -90.32 77.07 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -170.51 156.52 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.74 25.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.528 ' C ' ' N ' ' A' ' 109' ' ' GLU . 68.0 p 40.33 -143.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 109' ' ' GLU . 5.1 m-20 42.63 21.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.528 ' N ' ' C ' ' A' ' 107' ' ' THR . 1.5 tt0 179.34 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -111.97 -177.55 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -86.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.51 78.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.598 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 126' ' ' PHE . . . -156.71 155.32 31.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.684 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -145.55 162.08 38.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.472 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -91.43 131.75 36.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.254 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 1.085 HD12 HD12 ' A' ' 101' ' ' ILE . 2.8 mm -115.14 166.19 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 100' ' ' GLN . 22.3 mt -154.46 137.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.893 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -126.5 138.76 53.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.452 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -41.55 -28.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 4.3 t0 -48.58 -20.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 8.4 tt0 88.44 44.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.24 157.03 43.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.43 167.34 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.943 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.5 t -147.08 175.85 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.768 HG21 ' O ' ' A' ' 53' ' ' VAL . 23.3 mt -137.59 77.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.727 ' CD2' HD22 ' A' ' 50' ' ' LEU . 5.8 m-30 -68.52 165.97 17.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.549 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 32.5 m -147.4 102.11 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.054 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.1 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -103.95 153.74 20.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -117.26 -9.99 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.499 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -108.71 118.94 38.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.85 -33.42 16.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -36.22 69.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.723 ' O ' ' N ' ' A' ' 137' ' ' TRP . 4.8 mm-40 -66.11 -44.19 85.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.225 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -57.42 -44.37 84.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.1 m-20 -72.87 -41.71 64.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -76.98 -15.65 59.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.1 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 34.3 m0 -82.03 -43.66 17.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.3 OUTLIER -83.56 -36.88 23.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.78 -46.05 89.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.522 ' HB2' ' SD ' ' A' ' 46' ' ' MET . . . -56.69 -46.46 81.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -62.35 -49.36 75.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.442 HG12 ' CG2' ' A' ' 101' ' ' ILE . 6.1 mm -67.0 -14.98 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.74 -40.84 72.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 110.026 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.088 HD11 ' CD1' ' A' ' 63' ' ' LEU . 22.2 mt -71.08 -64.92 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.831 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -46.42 -23.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.688 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.3 OUTLIER -70.48 -30.72 67.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.1 mtm180 -89.12 39.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.43 25.2 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -169.22 -40.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.8 pp . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -95.85 25.98 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.471 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -147.93 16.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.719 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.1 pp -108.77 -141.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.491 ' H ' ' HB ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -161.98 -77.63 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -102.29 15.51 56.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.58 ' C ' ' O ' ' A' ' 31' ' ' GLY . 49.2 t-105 . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.445 0.164 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.499 HG12 ' N ' ' A' ' 65' ' ' ASP . 1.5 mm -90.17 -67.07 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.489 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -144.66 141.87 29.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -110.34 138.1 47.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.71 164.35 37.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.578 1.174 . . . . 0.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.552 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -114.96 115.33 26.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 110.407 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.845 HD13 ' CG1' ' A' ' 61' ' ' ILE . 5.0 mp -113.32 140.22 48.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -101.37 144.94 29.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.467 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.524 ' CG ' ' HB2' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -94.5 108.08 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.836 ' O ' HG12 ' A' ' 53' ' ' VAL . 2.4 t -87.78 71.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.588 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -155.22 20.64 0.56 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.621 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 170.39 -24.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.621 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 9.7 tttm 98.81 74.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.524 ' HB2' ' CG ' ' A' ' 52' ' ' ARG . 51.9 m80 -149.38 158.53 44.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.573 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' A' ' 73' ' ' SER . 4.8 pt-20 -125.76 164.12 21.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 71' ' ' CYS . 1.2 ptp180 -164.43 141.61 6.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.559 ' HE2' ' HE2' ' A' ' 62' ' ' PHE . 80.9 t60 -87.94 96.3 10.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.845 ' CG1' HD13 ' A' ' 50' ' ' LEU . 26.5 mm -66.74 156.72 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -166.89 91.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.821 HD11 ' CD1' ' A' ' 144' ' ' LEU . 4.4 tp -80.49 130.1 34.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.701 ' CE2' HG21 ' A' ' 69' ' ' ILE . 11.2 m-30 -105.0 155.12 19.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.499 ' N ' HG12 ' A' ' 45' ' ' ILE . 3.5 m-20 -69.47 1.83 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -114.93 -34.79 1.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.885 HD22 ' CE1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -176.9 139.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 0.719 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.539 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -71.78 140.65 49.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.806 HG13 HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -144.23 154.97 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 91' ' ' LYS . 26.7 p -144.17 141.09 29.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 108.287 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -104.7 127.15 52.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 59' ' ' ARG . 13.6 tttt -78.03 116.82 18.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.559 ' HA ' ' CD1' ' A' ' 88' ' ' TYR . 34.0 m -116.57 108.04 15.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.719 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . 8.4 mt-10 -38.61 -44.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.35 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 12.6 m-85 -83.38 -168.36 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 1.9 ttp85 -135.46 116.33 14.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -68.64 142.43 55.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.619 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -119.49 155.81 31.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.446 ' HG2' ' CE2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -97.16 120.05 36.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.632 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -125.61 74.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.885 ' CE1' HD22 ' A' ' 67' ' ' LEU . 45.2 m-85 -69.42 72.9 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.057 ' CD2' HD22 ' A' ' 118' ' ' LEU . 3.2 m-85 -135.48 -2.18 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.472 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -54.53 -17.26 3.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tpt85 -89.33 -13.72 37.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -176.18 130.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.685 HG22 ' HB3' ' A' ' 145' ' ' GLN . 3.2 m -146.35 -178.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.402 ' O ' ' HB ' ' A' ' 117' ' ' ILE . 6.7 mt-30 -162.08 91.46 0.8 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.073 . . . . 0.0 110.329 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.908 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -83.93 137.49 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 104' ' ' LYS . 17.6 t-20 -128.96 81.48 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.607 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 8.8 p-10 -65.18 78.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -96.37 82.08 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 10.8 t0 -144.18 172.17 13.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.783 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.3 OUTLIER -149.61 19.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.6 OUTLIER 12.51 -74.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.783 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.0 m-20 -32.36 -31.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.634 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.2 tt0 -112.57 -29.86 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.582 ' O ' ' O ' ' A' ' 107' ' ' THR . 15.3 m-30 -109.35 -166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 107' ' ' THR . 2.5 tptt -80.71 -93.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.532 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 1.1 t-80 -175.17 75.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.612 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.969 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -159.71 159.55 33.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.381 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.607 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -142.87 168.23 20.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.34 126.47 45.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.908 HD12 HD12 ' A' ' 101' ' ' ILE . 2.4 mm -102.5 166.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 36.2 mt -155.3 109.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.057 HD22 ' CD2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -85.95 146.85 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -47.1 -30.85 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.667 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 4.1 t0 -54.25 -15.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 12.4 tt0 91.16 22.05 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.867 ' HB3' HD12 ' A' ' 118' ' ' LEU . 5.2 t30 -104.3 -178.93 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 1.0 OUTLIER -146.69 161.9 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 125' ' ' ILE . 0.8 OUTLIER -147.47 175.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.571 HG22 ' HB ' ' A' ' 53' ' ' VAL . 3.1 mt -135.91 80.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.617 ' CD2' HG13 ' A' ' 116' ' ' ILE . 3.1 m-85 -76.53 159.74 30.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.969 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -143.2 112.42 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 110.06 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.65 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.71 175.27 5.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -128.93 -24.87 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.508 ' CB ' ' HG2' ' A' ' 133' ' ' GLU . 0.3 OUTLIER -108.22 125.95 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.95 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 134' ' ' LYS . . . -49.88 -23.39 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -76.84 -42.57 39.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.706 ' O ' ' N ' ' A' ' 137' ' ' TRP . 20.2 mm-40 -57.87 -53.87 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -53.29 -44.62 68.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 2.9 t-20 -67.07 -42.47 84.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.5 t30 -77.36 -17.9 57.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.785 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 39.7 m0 -78.83 -41.16 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.548 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -87.58 -36.2 17.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -63.62 -46.56 85.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.489 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -57.08 -45.28 83.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.404 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.09 -41.28 74.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 146' ' ' TYR . 6.4 mm -68.05 -21.06 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 139' ' ' ALA . 29.1 t -70.62 -41.62 72.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.821 ' CD1' HD11 ' A' ' 63' ' ' LEU . 16.7 mt -73.1 -63.69 1.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.685 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -47.23 -21.98 0.34 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.574 ' CE1' HG23 ' A' ' 142' ' ' ILE . 0.5 OUTLIER -70.53 -29.66 66.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -83.99 7.29 18.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' SER . . . . . 0.43 ' CB ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -100.87 31.23 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.938 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.92 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.641 ' HG3' ' CE ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.641 ' CE ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -106.82 28.57 7.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.515 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m-20 -166.02 27.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.974 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.5 pp -111.36 -156.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -155.33 -76.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.702 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.48 38.45 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.702 ' C ' ' O ' ' A' ' 31' ' ' GLY . 76.2 t-105 . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 64' ' ' PHE . 3.3 m-85 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.476 0.179 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.749 ' CD1' HD21 ' A' ' 144' ' ' LEU . 4.2 mt -62.46 -52.0 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.263 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.649 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -148.95 132.57 16.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.633 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -113.89 130.83 56.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -171.24 171.03 43.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.691 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -119.27 118.44 31.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.449 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 HG13 ' A' ' 61' ' ' ILE . 5.2 mp -111.29 136.52 50.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -95.08 134.59 37.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.451 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.1 OUTLIER -87.96 100.8 13.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.5 t -81.52 72.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -150.18 6.0 0.68 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.78 35.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.463 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER 48.36 80.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.543 ' CD2' ' HB2' ' A' ' 74' ' ' ASN . 5.7 m80 -148.86 142.63 25.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.561 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' C ' ' CG ' ' A' ' 59' ' ' ARG . 31.9 tt0 -122.95 159.48 28.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.356 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.468 ' CG ' ' C ' ' A' ' 58' ' ' GLU . 10.6 mtt180 -158.47 140.55 13.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.691 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.8 OUTLIER -83.96 97.05 9.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.572 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.899 HG13 HD13 ' A' ' 50' ' ' LEU . 43.9 mm -71.72 147.49 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CE1' ' CB ' ' A' ' 47' ' ' GLU . 2.7 m-85 -162.7 82.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.884 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -71.4 135.23 47.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.798 ' N ' HD12 ' A' ' 63' ' ' LEU . 16.2 m-85 -108.84 157.98 18.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.476 ' CA ' HG13 ' A' ' 45' ' ' ILE . 9.1 t70 -60.3 -16.41 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.31 -37.37 4.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.492 1.12 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 68' ' ' MET . 0.8 OUTLIER -176.2 147.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.884 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 1.2 tmt? -71.1 139.48 50.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.769 ' CG1' HD23 ' A' ' 90' ' ' LEU . 1.2 tp -118.36 164.34 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.517 ' SG ' ' CD1' ' A' ' 61' ' ' ILE . 5.6 t -164.08 113.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 22.6 p -101.7 112.17 24.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.293 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -60.74 133.88 56.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.542 ' HB2' ' CG ' ' A' ' 88' ' ' TYR . 2.8 t -130.25 104.94 7.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.543 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 14.8 t30 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.974 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 86' ' ' ALA . 33.6 mt-10 -26.96 -50.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.542 ' CG ' ' HB2' ' A' ' 73' ' ' SER . 2.8 m-30 -95.22 144.01 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 2.0 ttt85 -96.88 112.58 24.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.074 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.27 140.57 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.74 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -127.42 136.36 51.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 93' ' ' LYS . 20.6 tt0 -72.13 142.4 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.602 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -152.47 81.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CE2' ' OE2' ' A' ' 92' ' ' GLU . 1.4 m-85 -58.26 89.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CE2' HD11 ' A' ' 141' ' ' LEU . 5.7 m-30 -100.72 -48.6 4.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.707 ' N ' HD13 ' A' ' 144' ' ' LEU . 1.3 tmt? -40.04 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' PHE . 1.7 tpt180 -80.02 -51.1 9.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.115 . . . . 0.0 110.247 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' C ' HG13 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -176.21 148.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 145' ' ' GLN . 13.2 m -154.61 -178.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.3 OUTLIER -167.9 99.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.555 HD13 ' HA ' ' A' ' 138' ' ' MET . 0.1 OUTLIER -88.83 141.34 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.486 ' N ' HG13 ' A' ' 101' ' ' ILE . 3.8 t-20 -133.42 79.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.589 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 4.3 p-10 -65.04 79.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 102' ' ' ASN . 1.1 mtmt -98.33 79.32 2.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.585 ' OD2' HG23 ' A' ' 107' ' ' THR . 9.9 t0 -135.77 166.43 23.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.73 ' O ' ' N ' ' A' ' 108' ' ' ASN . 27.3 m-20 -134.84 8.4 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.606 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.7 OUTLIER 19.42 -79.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.452 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.73 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.3 t30 -33.17 -32.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.9 tt0 -112.71 -27.43 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CZ ' ' OD2' ' A' ' 106' ' ' ASP . 13.4 m-30 -105.81 -167.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.512 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -84.73 -90.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.512 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.2 OUTLIER -175.83 78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.584 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -162.72 163.06 27.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.38 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.654 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -153.0 165.92 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.3 OUTLIER -93.81 133.7 36.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.579 HD11 ' HB2' ' A' ' 126' ' ' PHE . 4.9 mp -123.88 136.47 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' GLN . 55.4 mt -116.85 127.34 74.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -111.95 139.59 47.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 121' ' ' GLU . 24.8 tptt -41.63 -32.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.6 m-20 -46.03 -21.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.518 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 0.6 OUTLIER 88.25 39.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.248 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.9 157.68 44.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 2.4 p -114.72 160.46 19.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.525 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.4 t -139.74 176.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.54 HG21 ' O ' ' A' ' 53' ' ' VAL . 4.3 mp -139.34 78.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.61 ' CD2' HD22 ' A' ' 50' ' ' LEU . 3.5 m-85 -74.31 165.62 24.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.666 ' OG ' HG23 ' A' ' 53' ' ' VAL . 39.3 m -144.35 104.11 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.025 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -102.42 147.21 27.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -111.96 -9.47 14.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.5 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -109.51 116.35 31.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 0.0 110.052 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.23 -32.93 4.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -72.71 -41.95 64.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.72 ' O ' ' N ' ' A' ' 137' ' ' TRP . 7.0 mm-40 -59.7 -44.98 93.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.5 OUTLIER -57.44 -44.29 84.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.544 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 0.2 OUTLIER -71.63 -41.31 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.6 OUTLIER -77.42 -16.99 58.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.025 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 36.2 m0 -79.72 -40.25 29.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -89.29 -34.35 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -63.1 -47.95 80.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.36 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.478 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -56.99 -44.28 82.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.706 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -64.21 -49.1 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.622 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 19.2 mm -67.64 -15.51 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 139' ' ' ALA . 3.9 t -70.67 -43.45 69.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.749 HD21 ' CD1' ' A' ' 45' ' ' ILE . 67.8 mt -72.02 -63.73 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.392 1.057 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.774 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -46.01 -23.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.622 ' CE1' ' CG2' ' A' ' 142' ' ' ILE . 0.7 OUTLIER -71.92 -28.77 63.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.1 mtt180 -82.62 8.75 11.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.34 44.6 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 110.006 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 174.27 -34.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.456 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -94.93 21.67 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.6 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -146.37 18.52 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.804 HG22 ' HB2' ' A' ' 90' ' ' LEU . 1.7 pp -115.41 164.58 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.483 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -106.22 -79.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -102.21 5.02 52.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 31.3 t-105 . . . . . 0 C--N 1.324 -0.5 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 27.1 p90 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.558 0.218 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.88 HD12 HD21 ' A' ' 144' ' ' LEU . 1.7 mt -52.07 -55.59 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.971 ' SD ' HD23 ' A' ' 63' ' ' LEU . 14.8 ptm -123.76 130.03 51.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.78 114.18 26.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.94 160.57 33.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.13 124.82 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.888 HD13 ' CG1' ' A' ' 61' ' ' ILE . 4.5 mp -113.07 143.69 43.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.9 OUTLIER -95.92 142.66 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.426 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -94.43 102.37 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.879 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.6 t -88.01 75.52 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.696 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -161.51 24.97 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.429 1.081 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 163.34 -24.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.635 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 99.15 81.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.586 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 75.7 m80 -162.51 149.75 13.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.574 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 73' ' ' SER . 2.0 mp0 -113.81 169.15 9.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.598 ' HG3' HD11 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -163.09 126.91 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.57 104.71 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.595 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.888 ' CG1' HD13 ' A' ' 50' ' ' LEU . 18.9 mm -77.58 134.23 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.519 ' CD2' ' HE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -149.2 82.36 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.135 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -71.55 130.83 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.374 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.812 ' CE2' HG21 ' A' ' 69' ' ' ILE . 10.4 m-30 -107.71 152.4 24.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.3 t0 -61.02 -12.77 12.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' C ' ' SD ' ' A' ' 96' ' ' MET . . . -97.05 -34.11 5.78 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.675 HD12 ' N ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -174.51 158.42 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.675 ' N ' HD12 ' A' ' 67' ' ' LEU . 17.8 mtp -85.07 119.7 25.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.984 HD12 ' N ' ' A' ' 70' ' ' CYS . 0.2 OUTLIER -110.8 146.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.984 ' N ' HD12 ' A' ' 69' ' ' ILE . 15.6 m -142.5 92.76 2.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 108.347 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.0 p -79.92 130.21 35.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 108.291 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 88' ' ' TYR . 31.3 tttt -82.77 164.61 20.51 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.658 ' HA ' ' CG ' ' A' ' 88' ' ' TYR . 16.1 p -177.81 140.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.095 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.546 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 19.4 mt-10 37.12 -59.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 1.095 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -147.39 -73.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 175.43 152.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.979 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -85.01 133.93 34.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.596 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -116.53 91.75 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.589 ' CD ' HD21 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -57.84 135.43 56.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.628 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 24.7 mttt -135.99 76.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 37.9 p90 -69.74 76.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.097 ' CE2' HD13 ' A' ' 118' ' ' LEU . 10.8 m-85 -129.98 -4.69 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.935 ' HB2' HD13 ' A' ' 144' ' ' LEU . 2.5 ptt? -47.23 -34.47 6.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.506 ' N ' ' HG3' ' A' ' 96' ' ' MET . 0.0 OUTLIER -64.22 -16.57 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -174.97 116.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.834 HG22 ' HB3' ' A' ' 145' ' ' GLN . 8.4 m -137.89 -178.07 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -168.96 115.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.758 HD12 HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -100.5 135.85 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.6 m120 -126.56 80.39 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.184 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.587 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 16.9 p-10 -61.68 80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' ASN . 9.1 tttp -98.99 79.76 2.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.408 ' OD2' HG23 ' A' ' 107' ' ' THR . 13.6 t0 -137.0 170.72 15.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.772 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -144.25 15.27 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.4 OUTLIER 13.64 -75.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.423 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.772 ' N ' ' O ' ' A' ' 106' ' ' ASP . 13.2 t30 -31.47 -32.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.645 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.0 OUTLIER -113.47 -31.2 6.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.585 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.0 m-30 -104.52 -170.02 1.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -84.26 -89.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -173.78 78.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.605 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.8 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -157.78 160.34 37.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.587 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -148.41 166.36 28.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 15.7 pt-20 -94.94 130.01 41.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.758 HD12 HD12 ' A' ' 101' ' ' ILE . 2.7 mm -104.32 167.98 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' GLN . 58.5 mt -151.73 101.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.097 HD13 ' CE2' ' A' ' 95' ' ' PHE . 2.3 pp -109.03 163.16 13.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -46.59 176.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 69.61 6.14 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 57.09 75.53 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.51 138.12 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -114.24 150.47 34.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.927 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.455 HG12 ' H ' ' A' ' 125' ' ' ILE . 0.9 OUTLIER -127.99 174.71 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.798 HG21 ' O ' ' A' ' 53' ' ' VAL . 3.2 mt -134.68 79.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.623 ' CD2' HG13 ' A' ' 116' ' ' ILE . 3.0 m-85 -76.48 158.71 31.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.8 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 18.1 m -139.47 104.48 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.071 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.144 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -105.31 141.51 36.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 0.0 109.384 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 -8.43 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 m -106.27 113.7 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.949 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -46.57 -34.34 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.15 -43.34 67.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.741 ' O ' ' N ' ' A' ' 137' ' ' TRP . 21.0 mt-10 -60.45 -42.73 96.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.565 ' O ' ' HG2' ' A' ' 138' ' ' MET . 5.4 ttpt -56.71 -42.92 80.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 32.6 t30 -76.28 -40.55 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.2 m-20 -77.15 -15.84 59.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.144 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 34.1 m0 -80.82 -44.05 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -83.53 -37.58 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.501 ' CA ' ' HE2' ' A' ' 138' ' ' MET . . . -62.62 -46.48 88.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.46 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -59.03 -42.22 89.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -65.46 -47.72 75.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.496 HG22 ' CE2' ' A' ' 146' ' ' TYR . 24.8 mm -68.46 -17.24 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.0 t -69.21 -43.95 73.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.924 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.135 HD11 ' CD1' ' A' ' 63' ' ' LEU . 68.3 mt -69.13 -59.77 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.834 ' HB3' HG22 ' A' ' 99' ' ' VAL . 2.7 pp0? -46.98 -23.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.654 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -76.52 -34.84 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -81.94 47.8 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.12 27.12 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -171.07 -39.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 33.9 mt-30 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.49 44.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.576 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 1.3 t-20 -168.87 -31.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.046 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.4 pp -58.54 -145.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.534 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 12.2 t70 -158.4 -52.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.71 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -133.68 29.32 3.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.416 1.073 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.71 ' C ' ' O ' ' A' ' 31' ' ' GLY . 9.9 t-105 . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 31.7 p90 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.436 0.16 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 65' ' ' ASP . 32.8 mt -50.03 -59.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.522 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -138.23 129.98 28.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -107.62 129.76 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.09 163.37 37.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.741 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -116.29 117.92 31.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.955 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.4 OUTLIER -119.17 152.72 36.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.22 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.573 ' CG2' ' HB2' ' A' ' 127' ' ' SER . 0.6 OUTLIER -100.57 128.21 46.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.425 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' HIS . 13.2 ttt180 -80.26 90.59 5.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.82 HG12 HG21 ' A' ' 125' ' ' ILE . 1.2 t -64.37 176.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.688 ' N ' HG13 ' A' ' 53' ' ' VAL . . . 81.35 -5.61 67.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -147.17 -36.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.5 OUTLIER 88.7 68.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' ARG . 53.9 m-70 -149.02 149.11 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.619 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -98.48 163.32 12.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.631 ' HD2' HD11 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -162.59 117.45 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.554 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.2 OUTLIER -68.21 87.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.955 ' CG1' HD13 ' A' ' 50' ' ' LEU . 29.5 mm -57.48 145.49 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.513 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -164.54 80.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.79 HD21 ' CD1' ' A' ' 144' ' ' LEU . 5.7 tp -70.32 115.61 9.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 18.7 m-30 -92.36 145.4 24.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.604 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -55.09 -14.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.657 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -94.02 -45.05 3.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.047 HD13 ' CD1' ' A' ' 94' ' ' PHE . 83.2 mt -161.0 146.41 14.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.532 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.7 100.28 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.088 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.044 HD12 HD21 ' A' ' 90' ' ' LEU . 2.0 mm -93.96 147.69 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.578 ' CB ' HD13 ' A' ' 61' ' ' ILE . 1.6 p -149.49 106.39 3.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.543 ' O ' ' CA ' ' A' ' 59' ' ' ARG . 6.4 m -75.75 127.4 32.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 108.323 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.539 ' CG ' ' NH1' ' A' ' 59' ' ' ARG . 4.1 mtpm? -96.36 118.16 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 m -117.65 130.36 56.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.046 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 86' ' ' ALA . 13.9 mt-10 -27.66 -53.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.576 ' CG ' ' OD1' ' A' ' 28' ' ' ASN . 2.8 m-30 -88.25 -142.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.475 ' HA ' ' HB2' ' A' ' 30' ' ' ASP . 12.6 ttp180 -149.29 156.07 41.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.16 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.044 HD21 HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -112.99 138.72 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.678 ' N ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -122.78 130.71 53.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -90.07 123.98 34.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 20.4 mttt -131.75 79.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 1.047 ' CD1' HD13 ' A' ' 67' ' ' LEU . 4.7 m-85 -62.67 79.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.774 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 44.4 m-85 -144.02 7.94 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.522 ' HG2' HD13 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -61.7 -10.5 8.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 1.183 . . . . 0.0 111.015 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.13 -0.82 20.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.431 ' HB3' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -175.14 131.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.544 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 3.1 m -152.53 -175.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.6 mt-30 -168.66 82.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 138' ' ' MET . 0.5 OUTLIER -76.68 144.69 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' LYS . 0.5 OUTLIER -133.85 84.05 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.634 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 51.5 p-10 -63.18 78.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -103.9 78.45 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 6.0 t70 -154.39 -159.3 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.752 ' C ' HG23 ' A' ' 107' ' ' THR . 0.1 OUTLIER 162.59 -24.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.393 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.752 HG23 ' C ' ' A' ' 106' ' ' ASP . 1.3 p 71.69 -6.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.442 ' H ' ' C ' ' A' ' 106' ' ' ASP . 7.4 m-20 -62.37 -6.52 3.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 107' ' ' THR . 4.2 tt0 -157.24 -20.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -108.86 -171.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -75.77 -88.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.474 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 1.6 t-80 -178.01 79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.98 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -167.27 148.35 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -115.48 174.49 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.688 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -100.59 118.8 37.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.72 HD13 ' N ' ' A' ' 116' ' ' ILE . 1.1 mm -95.47 157.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 100' ' ' GLN . 40.2 mt -150.86 110.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.774 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -110.56 178.0 4.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 118' ' ' LEU . 2.3 tptp -54.18 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.2 t70 45.73 23.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 42.38 83.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.546 ' HB2' HD12 ' A' ' 118' ' ' LEU . 15.6 m-20 -149.47 155.3 40.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -132.33 164.96 25.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.99 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.409 ' C ' HD12 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -149.77 179.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.82 HG21 HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -142.83 87.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.528 ' HB3' HD23 ' A' ' 50' ' ' LEU . 17.4 m-30 -87.26 135.4 33.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.98 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 62.4 m -109.02 117.32 33.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.151 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -118.6 144.29 46.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -115.28 0.84 13.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.493 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -113.43 111.99 22.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.113 . . . . 0.0 110.067 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.21 -38.06 5.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.378 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.61 -41.9 68.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.741 ' O ' ' N ' ' A' ' 137' ' ' TRP . 15.5 mm-40 -59.22 -48.82 80.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 138' ' ' MET . 1.2 ttpm? -54.45 -44.74 72.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.573 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 3.8 t-20 -70.53 -41.78 72.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.3 OUTLIER -76.93 -17.1 59.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.151 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 38.1 m0 -79.27 -39.48 32.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.034 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.601 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -91.24 -35.89 14.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -58.64 -49.46 77.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -57.49 -40.12 77.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.504 HD22 ' HB ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -69.11 -46.18 68.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.512 HG12 ' CG2' ' A' ' 101' ' ' ILE . 3.1 mm -67.08 -20.22 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -48.83 68.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.79 ' CD1' HD21 ' A' ' 63' ' ' LEU . 82.4 mt -71.45 -57.16 4.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.482 ' HB2' HG22 ' A' ' 99' ' ' VAL . 1.2 tm0? -43.34 -25.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.948 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.5 OUTLIER -78.21 -38.33 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.383 1.052 . . . . 0.0 111.001 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 144' ' ' LEU . 25.3 mtt-85 -78.94 49.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.64 25.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.72 -37.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 110.406 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.948 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.476 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.1 mt-30 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -91.22 36.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.643 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -167.57 24.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.518 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.9 pp -119.48 -132.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -167.44 -82.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.588 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -101.37 10.96 58.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.584 ' C ' ' O ' ' A' ' 31' ' ' GLY . 63.5 t-105 . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.4 ' CE1' ' HE1' ' A' ' 64' ' ' PHE . 28.1 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.56 0.219 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.878 HD12 HD21 ' A' ' 144' ' ' LEU . 1.4 mt -59.1 -69.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.618 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -126.69 143.01 51.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . 4.6 mp0 -118.01 123.1 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -169.51 156.44 27.45 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.605 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -110.13 129.91 55.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 110.376 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.819 HD22 ' CD2' ' A' ' 126' ' ' PHE . 2.0 mp -126.29 156.75 39.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.515 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -112.63 138.1 49.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 7.9 ttp85 -89.31 94.16 9.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.6 t -81.26 78.37 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.692 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -171.11 29.11 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.32 -22.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.4 0.706 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.649 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 100.15 78.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 74' ' ' ASN . 67.6 m-70 -141.85 135.41 29.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.072 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.409 ' CG ' ' OG1' ' A' ' 51' ' ' THR . 60.4 tt0 -143.04 139.92 30.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.764 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -175.69 -175.04 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.653 ' O ' HD13 ' A' ' 61' ' ' ILE . 1.6 t-80 -92.51 147.1 23.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.58 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.801 HD12 ' HB2' ' A' ' 70' ' ' CYS . 37.1 mm -123.2 119.04 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 47' ' ' GLU . 64.2 m-85 -124.66 110.11 13.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.041 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -92.2 129.03 38.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CE2' ' HB ' ' A' ' 69' ' ' ILE . 4.0 m-85 -97.93 156.51 16.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.485 ' CA ' HG13 ' A' ' 45' ' ' ILE . 1.5 t0 -65.22 -11.79 44.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.53 -32.61 5.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.415 HD21 HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -176.75 139.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.705 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -78.64 115.32 18.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.892 HD12 ' CD2' ' A' ' 90' ' ' LEU . 17.4 mm -108.52 118.68 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.801 ' HB2' HD12 ' A' ' 61' ' ' ILE . 14.4 p -103.23 117.34 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 108.355 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.764 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 2.7 m -97.69 99.18 10.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.35 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.594 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 30.9 mttt -91.28 155.49 18.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.62 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 14.1 t -147.6 133.4 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 4.2 t30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.529 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 86' ' ' ALA . 19.8 mt-10 -32.95 -58.88 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.656 ' CE2' ' NE ' ' A' ' 59' ' ' ARG . 1.6 m-30 -74.04 -168.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -143.85 117.99 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.049 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.98 152.09 44.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.732 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -136.6 116.26 12.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 11.4 pt-20 -59.45 116.17 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.62 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 6.6 mmtm -132.11 83.47 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -59.47 78.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.0 ' CE1' HD22 ' A' ' 118' ' ' LEU . 6.6 m-30 -92.06 -46.01 8.01 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.816 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -41.37 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -81.36 -51.09 8.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG3' ' CB ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -173.42 149.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 145' ' ' GLN . 14.0 m -155.33 -176.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' ILE . 2.1 tt0 -167.64 85.49 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.628 HD12 HD12 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -74.58 141.4 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.459 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -134.98 90.94 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.642 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 13.2 p-10 -67.37 79.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -99.05 79.61 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.49 ' OD2' HG23 ' A' ' 107' ' ' THR . 10.8 t0 -138.31 171.92 13.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.748 ' O ' ' N ' ' A' ' 108' ' ' ASN . 1.3 t70 -140.89 12.55 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.654 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.6 OUTLIER 13.34 -76.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.748 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.7 m120 -31.42 -32.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.6 tt0 -112.01 -31.14 7.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.573 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.1 m-30 -105.26 -166.89 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.489 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -82.44 -92.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.455 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -174.73 79.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.581 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.881 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -162.66 152.63 16.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.678 ' HD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -136.97 169.97 16.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.76 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -96.77 122.17 39.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 110.331 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.76 HD13 ' C ' ' A' ' 115' ' ' GLU . 2.0 mm -104.28 148.14 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 100' ' ' GLN . 1.9 mp -132.36 134.99 58.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.0 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -123.11 134.96 54.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.5 ' CB ' ' HG3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -45.71 -25.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.876 ' HB3' HD12 ' A' ' 118' ' ' LEU . 24.4 t0 -52.1 -16.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 5.4 mt-10 87.4 46.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -151.24 159.95 44.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -124.21 163.05 22.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.95 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.51 ' C ' HD12 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -142.62 176.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.773 HG21 ' O ' ' A' ' 53' ' ' VAL . 5.3 mp -140.19 80.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.819 ' CD2' HD22 ' A' ' 50' ' ' LEU . 11.6 m-30 -75.03 156.62 35.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.881 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 37.1 m -138.83 112.11 8.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.0 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -110.65 158.49 18.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -118.78 -8.67 10.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.507 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -112.79 114.92 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.952 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.16 -35.6 3.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -68.8 -39.97 79.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.685 ' HB3' ' NE1' ' A' ' 137' ' ' TRP . 4.2 mm-40 -61.28 -45.14 95.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 138' ' ' MET . 3.5 ttpt -57.9 -38.41 75.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.459 ' O ' ' HG3' ' A' ' 138' ' ' MET . 2.0 t-20 -78.58 -38.36 40.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.3 m-20 -77.91 -19.06 55.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.389 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.0 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 41.3 m0 -78.74 -46.33 19.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -77.64 -39.75 44.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -59.71 -42.02 92.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.571 ' HB2' ' SD ' ' A' ' 46' ' ' MET . . . -63.98 -43.88 94.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.811 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -64.03 -45.5 88.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' A' ' 101' ' ' ILE . 13.9 mm -70.39 -15.36 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.75 -42.41 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.041 HD11 ' CD1' ' A' ' 63' ' ' LEU . 62.0 mt -70.13 -63.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.394 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.684 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -48.26 -22.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.605 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.5 OUTLIER -73.02 -27.81 61.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 111.006 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 144' ' ' LEU . 6.6 mpt_? -92.12 25.28 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.46 31.19 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.054 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.78 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.643 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 6.5 pt20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -96.57 38.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -177.52 30.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.845 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.6 pp -136.83 -145.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' H ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -157.59 -81.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.44 19.34 29.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.564 ' C ' ' O ' ' A' ' 31' ' ' GLY . 57.3 t-105 . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.514 0.197 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.152 ' CD1' HD21 ' A' ' 144' ' ' LEU . 15.5 mt -78.17 -72.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.538 ' HG3' HG22 ' A' ' 45' ' ' ILE . 2.3 mtp -139.71 133.4 30.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.591 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -110.22 116.67 31.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 61' ' ' ILE . . . -148.49 160.79 28.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.454 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -113.06 116.17 29.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.927 HD13 ' CG1' ' A' ' 61' ' ' ILE . 2.6 mp -118.18 146.02 44.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -98.35 143.49 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.482 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 52' ' ' ARG . 2.4 ptm85 -99.98 105.45 17.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.809 HG12 ' H ' ' A' ' 54' ' ' GLY . 3.3 t -71.44 -176.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.809 ' H ' HG12 ' A' ' 53' ' ' VAL . . . 76.38 1.46 70.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -156.7 -40.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.7 OUTLIER 89.71 78.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.357 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.647 ' CE1' ' O ' ' A' ' 58' ' ' GLU . 39.1 t-80 -153.61 153.18 31.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.647 ' O ' ' CE1' ' A' ' 57' ' ' HIS . 1.5 mt-10 -105.87 159.03 16.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.516 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 7.5 ptm180 -160.42 112.77 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.591 1.182 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.594 ' CB ' ' CD2' ' A' ' 88' ' ' TYR . 18.2 t60 -66.01 92.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.591 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.927 ' CG1' HD13 ' A' ' 50' ' ' LEU . 48.8 mm -62.0 155.33 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -170.34 82.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -71.51 125.09 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 7.7 m-30 -98.0 157.0 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.858 ' HA ' HD11 ' A' ' 45' ' ' ILE . 6.7 t0 -69.27 -0.83 6.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.05 -28.36 3.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 68' ' ' MET . 0.5 OUTLIER -174.16 174.75 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.746 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -89.76 104.79 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.963 HD12 HD21 ' A' ' 90' ' ' LEU . 6.4 mm -100.34 131.8 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.669 ' HB3' HD13 ' A' ' 61' ' ' ILE . 5.7 m -136.31 111.92 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.278 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 60' ' ' HIS . 0.8 OUTLIER -90.97 103.37 16.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 108.281 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.542 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 2.0 ptmt -59.68 151.13 25.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.534 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 35.0 t -140.87 124.4 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.192 . . . . 0.0 110.01 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.503 ' OD1' ' CD2' ' A' ' 57' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.845 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -32.22 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.594 ' CD2' ' CB ' ' A' ' 60' ' ' HIS . 1.1 m-85 -118.01 143.88 46.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -88.17 120.35 29.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.963 HD21 HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -57.6 142.52 44.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.629 ' H ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -133.25 130.95 39.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -85.16 116.37 23.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 68' ' ' MET . 1.7 mmtt -133.5 75.68 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.452 ' HA ' ' HB2' ' A' ' 67' ' ' LEU . 12.2 p90 -76.66 75.03 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.147 ' CD2' HD13 ' A' ' 118' ' ' LEU . 3.7 m-85 -138.01 -0.16 2.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.932 ' HB2' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.62 -36.13 44.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' A' ' 96' ' ' MET . 4.3 ttm-85 -62.37 -6.86 3.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 95' ' ' PHE . 8.0 tttt -171.44 105.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.693 HG21 ' HG ' ' A' ' 141' ' ' LEU . 1.5 m -138.88 161.81 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 117' ' ' ILE . 5.2 mt-30 -147.17 128.62 14.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -116.1 143.09 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.512 ' N ' HG13 ' A' ' 101' ' ' ILE . 9.2 t-20 -148.86 117.06 6.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.612 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 17.8 p-10 -76.64 78.49 3.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 77.16 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 34.4 t70 -158.22 -51.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.608 ' CB ' ' O ' ' A' ' 105' ' ' ASP . 16.0 t0 90.9 -172.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 111' ' ' LYS . 6.4 p -152.1 -61.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' THR . 3.0 t30 -39.89 -27.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.575 ' HG2' ' CE1' ' A' ' 110' ' ' TYR . 9.2 tt0 -124.49 -14.36 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.666 ' CG ' ' O ' ' A' ' 105' ' ' ASP . 5.1 m-85 -125.96 -168.47 1.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.789 ' O ' HG22 ' A' ' 107' ' ' THR . 3.4 tttt -79.87 -94.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.573 ' O ' ' HA ' ' A' ' 127' ' ' SER . 5.7 p-80 174.17 78.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.769 ' HB2' HG21 ' A' ' 53' ' ' VAL . . . -138.0 164.39 29.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.756 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.5 152.23 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.419 ' C ' HD13 ' A' ' 116' ' ' ILE . 2.2 mt-10 -84.72 101.85 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -89.58 107.06 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 100' ' ' GLN . 58.6 mt -101.24 86.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.244 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.147 HD13 ' CD2' ' A' ' 95' ' ' PHE . 3.4 pp -90.26 161.11 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.694 ' O ' HD12 ' A' ' 118' ' ' LEU . 17.6 tttp -45.37 175.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.069 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.574 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 8.1 t0 76.37 -0.33 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.89 60.65 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -137.85 124.77 21.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 83.1 p -100.76 150.23 23.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.066 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.671 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.8 OUTLIER -134.71 -179.94 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.728 HG22 ' HB1' ' A' ' 113' ' ' ALA . 7.4 mm -138.62 79.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.783 ' CD2' HD22 ' A' ' 50' ' ' LEU . 10.2 m-30 -73.95 124.25 25.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.573 ' HA ' ' O ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -103.64 113.32 26.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.015 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.175 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -114.76 132.29 56.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.168 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -106.62 19.47 20.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 133' ' ' GLU . 1.0 OUTLIER -131.66 110.74 11.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -45.58 -37.19 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -72.41 -37.49 68.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.805 ' O ' ' N ' ' A' ' 137' ' ' TRP . 18.0 mt-10 -62.33 -51.3 68.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.1 OUTLIER -52.32 -43.78 64.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.391 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.513 ' O ' ' HG3' ' A' ' 138' ' ' MET . 0.7 OUTLIER -69.31 -47.54 64.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.8 OUTLIER -76.19 -13.35 60.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.175 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 32.6 m0 -83.44 -43.36 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 108.059 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.533 ' HA ' HG21 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -82.91 -35.33 26.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -65.18 -43.76 90.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.411 ' HB1' HD11 ' A' ' 63' ' ' LEU . . . -59.93 -42.72 94.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.693 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.68 -46.75 62.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 101' ' ' ILE . 18.6 mm -66.82 -20.23 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 139' ' ' ALA . 2.4 m -70.17 -44.18 69.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.152 HD21 ' CD1' ' A' ' 45' ' ' ILE . 73.7 mt -70.38 -58.39 3.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.559 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -47.75 -23.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.861 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.4 OUTLIER -75.47 -29.95 59.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.3 OUTLIER -83.95 45.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.4 27.03 2.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -172.16 -38.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.861 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.575 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -101.28 40.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -178.35 26.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.069 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.3 pp -122.5 -151.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.455 ' OD2' ' CZ ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -153.67 -79.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.607 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -117.98 23.68 9.22 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.607 ' C ' ' O ' ' A' ' 31' ' ' GLY . 47.9 t-105 . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.426 ' CZ ' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.449 0.166 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.827 HD12 HD21 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -67.54 -72.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.656 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -130.54 115.93 17.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.509 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 2.3 pt-20 -101.01 123.89 45.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.11 161.23 34.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.07 116.65 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.349 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.925 HD13 HG13 ' A' ' 61' ' ' ILE . 3.7 mp -110.88 140.88 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.568 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -93.09 137.24 32.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 6.8 ttp-105 -88.24 107.75 18.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.4 t -92.34 76.26 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.692 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -162.19 24.24 0.22 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 163.55 -23.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER 98.75 82.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 34.0 m80 -164.04 143.75 7.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.56 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 73' ' ' SER . 20.6 tt0 -111.21 167.79 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.603 ' NH2' HG12 ' A' ' 124' ' ' VAL . 4.6 ptt180 -163.09 123.62 2.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -71.42 95.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.574 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.925 HG13 HD13 ' A' ' 50' ' ' LEU . 41.4 mm -63.65 153.99 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.384 1.052 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 61' ' ' ILE . 10.0 m-85 -168.06 84.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.121 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -77.15 131.9 38.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.367 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 69' ' ' ILE . 17.5 m-30 -103.05 160.77 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 111.022 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.501 ' CA ' HG13 ' A' ' 45' ' ' ILE . 2.4 t0 -73.0 5.34 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -119.38 -29.89 1.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -176.43 161.16 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.243 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.686 ' CE ' HD11 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -79.52 123.21 27.36 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.562 HG13 ' CE2' ' A' ' 64' ' ' PHE . 18.2 mm -121.64 122.89 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.555 ' HB3' HD13 ' A' ' 61' ' ' ILE . 8.3 m -120.22 133.86 55.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 108.299 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 60' ' ' HIS . 2.3 m -107.97 121.53 44.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 108.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -74.17 133.01 42.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.58 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 58.3 p -128.9 122.33 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.069 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.583 ' C ' ' O ' ' A' ' 86' ' ' ALA . 10.5 mt-10 -22.85 -56.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.357 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 73' ' ' SER . 2.9 m-85 -94.9 149.29 21.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.455 ' CZ ' ' OD2' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -97.34 124.5 41.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.029 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -57.67 153.27 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.668 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -139.37 125.04 19.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.51 116.69 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 9.8 mttt -132.66 76.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CA ' HD13 ' A' ' 67' ' ' LEU . 4.8 p90 -76.35 76.53 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.803 ' CE2' HD13 ' A' ' 118' ' ' LEU . 12.4 m-85 -132.95 -7.25 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.873 ' CB ' HD13 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -49.9 -38.85 37.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 111.052 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.475 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -60.63 -11.53 7.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.494 ' CG ' ' OE1' ' A' ' 145' ' ' GLN . 12.3 tttt -175.15 90.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 141' ' ' LEU . 5.5 m -110.2 -179.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -167.34 104.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.96 HD12 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -94.74 135.91 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.378 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.6 m-20 -126.77 77.57 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.639 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 3.6 p-10 -59.98 82.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.484 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . 9.8 tptt -90.0 77.54 6.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 106' ' ' ASP . 2.9 t70 -152.03 -148.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 105' ' ' ASP . 4.7 m-20 151.72 -9.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 106' ' ' ASP . 61.2 p 51.44 -146.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.591 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 3.2 m-80 45.55 18.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 108' ' ' ASN . 2.2 mt-10 -176.96 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -98.7 -169.79 1.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.537 ' HE3' ' CG ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -84.02 -94.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.39 1.056 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.537 ' CG ' ' HE3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -178.88 75.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 126' ' ' PHE . . . -157.3 168.81 26.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.664 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -156.87 161.77 39.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.527 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -90.88 130.99 36.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.96 HD12 HD12 ' A' ' 101' ' ' ILE . 2.7 mm -110.21 169.02 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' GLN . 29.9 mt -154.81 94.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.803 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -101.4 104.34 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.772 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER 23.4 -152.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' A' ' 119' ' ' LYS . 22.3 t0 26.55 36.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 119' ' ' LYS . 5.3 tt0 33.3 36.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.503 ' HB3' HD11 ' A' ' 118' ' ' LEU . 5.7 m-20 -100.39 122.3 42.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -102.63 166.32 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.603 HG12 ' NH2' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -146.36 173.98 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.247 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.855 HG21 ' O ' ' A' ' 53' ' ' VAL . 2.9 mp -134.64 78.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.73 ' CD2' HD22 ' A' ' 50' ' ' LEU . 2.9 m-85 -72.21 164.47 26.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.68 ' OG ' HG23 ' A' ' 53' ' ' VAL . 67.7 m -143.69 99.3 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.095 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.72 148.37 25.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -118.87 -6.51 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.553 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 3.3 t -107.28 111.94 24.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -43.05 -36.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -70.91 -46.21 62.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.724 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 5.9 mm-40 -60.72 -38.48 85.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -63.07 -36.76 84.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 21.1 t-20 -82.81 -36.74 25.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 0.8 OUTLIER -76.96 -26.13 53.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.095 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 40.2 m0 -70.05 -50.31 42.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 108.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.519 ' HA ' HG21 ' A' ' 101' ' ' ILE . 1.1 ppp? -74.25 -39.96 62.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.92 -40.77 98.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 136' ' ' ASN . . . -59.99 -46.84 88.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.686 HD11 ' CE ' ' A' ' 68' ' ' MET . 0.5 OUTLIER -67.0 -48.63 67.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.54 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 2.7 mm -64.04 -19.75 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -68.37 -42.76 78.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.121 HD11 ' CD1' ' A' ' 63' ' ' LEU . 82.2 mt -71.86 -63.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.494 ' OE1' ' CG ' ' A' ' 98' ' ' LYS . 37.4 tp60 -44.06 -24.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.954 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -73.65 -40.35 63.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.2 mtp180 -79.28 50.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.63 33.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.5 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.444 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.954 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.2 pp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.552 ' CD ' ' CE ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.552 ' CE ' ' CD ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -121.65 30.74 6.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.567 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 2.2 t-20 -137.43 -34.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.097 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.7 pp -54.24 -156.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' N ' HD12 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -142.81 -76.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.559 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.0 23.45 23.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.559 ' C ' ' O ' ' A' ' 31' ' ' GLY . 66.7 t-105 . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 47' ' ' GLU . 2.7 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.575 0.226 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.731 HG21 HD12 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -82.85 -78.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.616 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -134.39 137.65 44.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.6 ' HB2' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -107.52 116.64 32.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -159.17 165.66 34.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.087 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.555 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -123.36 121.17 35.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 0.731 . . . . 0.0 110.37 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.837 HD22 ' CD2' ' A' ' 126' ' ' PHE . 2.9 mp -112.84 146.68 38.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 127' ' ' SER . 0.9 OUTLIER -91.68 137.76 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.388 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -91.51 80.58 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.864 HG12 HG21 ' A' ' 125' ' ' ILE . 1.0 OUTLIER -58.59 173.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.626 ' N ' HG13 ' A' ' 53' ' ' VAL . . . 100.85 -1.98 55.47 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -172.13 -76.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 5.3 ptmt 160.25 71.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -135.26 148.82 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.62 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.586 ' O ' ' O ' ' A' ' 73' ' ' SER . 4.8 mp0 -141.82 152.96 44.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -163.35 152.62 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.555 ' CG ' ' HB ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -87.5 97.01 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.693 ' CG1' HD13 ' A' ' 50' ' ' LEU . 41.2 mm -69.3 113.84 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.6 ' CE1' ' HB2' ' A' ' 47' ' ' GLU . 1.5 m-30 -123.02 86.06 2.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.8 HD22 ' HE3' ' A' ' 68' ' ' MET . 0.3 OUTLIER -73.92 133.74 43.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' A' ' 69' ' ' ILE . 19.6 m-30 -106.64 157.71 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.487 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -72.55 58.3 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.56 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 174.48 -35.84 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' A' ' 94' ' ' PHE . 15.5 mt -164.79 125.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.8 ' HE3' HD22 ' A' ' 63' ' ' LEU . 1.6 ttm -68.51 135.86 52.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 64' ' ' PHE . 38.3 mm -119.16 151.75 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 4.5 m -142.39 107.95 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 12.6 p -83.17 111.4 18.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 59' ' ' ARG . 10.6 tttt -58.08 137.06 57.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.599 ' OG ' ' CE2' ' A' ' 88' ' ' TYR . 5.0 m -139.79 147.37 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.097 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.0 mt-10 -36.18 -50.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.599 ' CE2' ' OG ' ' A' ' 73' ' ' SER . 13.2 m-30 -80.17 -177.8 6.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -133.75 112.53 11.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.368 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.0 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.73 140.9 54.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.517 ' N ' HD22 ' A' ' 90' ' ' LEU . 19.4 tttt -127.75 145.66 50.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -88.2 117.25 26.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -123.07 97.57 5.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.224 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.764 ' HA ' HD22 ' A' ' 67' ' ' LEU . 39.9 m-85 -67.32 80.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.841 ' CD2' HG11 ' A' ' 99' ' ' VAL . 6.9 m-85 -101.91 -45.34 5.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.441 ' HA ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -44.36 -20.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.447 ' N ' ' C ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -85.19 -50.75 7.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.28 142.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.841 HG11 ' CD2' ' A' ' 95' ' ' PHE . 16.3 m -145.36 -179.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 109.247 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 117' ' ' ILE . 2.8 tt0 -164.46 102.45 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.989 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -95.31 135.93 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.408 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -130.18 91.82 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.643 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 28.6 p-10 -68.5 79.58 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -104.23 79.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.528 ' OD2' HG23 ' A' ' 107' ' ' THR . 15.3 t0 -134.14 173.22 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.776 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.2 OUTLIER -148.47 17.6 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.648 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 12.51 -74.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.776 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.1 t30 -31.34 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.5 tt0 -110.73 -32.2 6.95 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.586 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.6 m-30 -104.12 -166.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.614 1.196 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.592 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -84.18 -88.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -175.42 78.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 127' ' ' SER . . . -167.87 161.08 12.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.682 ' HD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -135.79 173.3 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.456 ' HG2' ' CB ' ' A' ' 104' ' ' LYS . 4.9 pt-20 -95.36 121.68 37.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.989 HD12 HD12 ' A' ' 101' ' ' ILE . 3.8 mm -98.71 164.95 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 117' ' ' ILE . 74.3 mt -148.4 79.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.623 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 3.0 pp -82.26 172.83 12.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.8 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.92 17.19 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 45.26 68.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -138.41 125.85 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 150.39 20.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.55 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -137.68 174.78 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.864 HG21 HG12 ' A' ' 53' ' ' VAL . 4.5 mm -133.56 82.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.837 ' CD2' HD22 ' A' ' 50' ' ' LEU . 12.2 m-30 -75.69 145.18 41.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.758 ' HB2' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -124.51 111.52 15.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.97 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.111 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.19 143.87 41.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.67 -4.89 14.01 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.49 112.43 24.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.34 -37.84 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -68.7 -42.62 77.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.71 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 11.3 mm-40 -62.43 -38.67 90.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -60.94 -36.83 80.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 138' ' ' MET . 58.0 t30 -84.0 -37.27 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.509 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 1.1 m-20 -77.38 -21.83 52.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.111 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 37.9 m0 -74.57 -50.31 18.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 108.002 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.446 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -71.66 -52.43 17.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.388 1.055 . . . . 0.0 111.009 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.446 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -52.13 -44.32 64.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 136' ' ' ASN . . . -59.46 -37.87 79.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.676 HD22 ' HB ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -68.99 -52.59 27.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.29 -17.3 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 t -69.93 -42.65 72.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 95' ' ' PHE . 15.8 mt -67.85 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.778 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -46.9 -23.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.256 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.828 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.2 OUTLIER -72.84 -31.17 64.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -86.16 43.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.251 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.3 31.95 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.29 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.582 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 47.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.432 ' N ' ' HA ' ' A' ' 86' ' ' ALA . 2.5 t30 178.56 24.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.902 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.3 pp -131.52 -135.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.522 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -176.15 -80.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.571 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -100.38 11.2 59.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.55 ' C ' ' O ' ' A' ' 31' ' ' GLY . 53.3 t-105 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.641 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 25.0 p90 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.476 0.179 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.973 ' HB ' HD23 ' A' ' 63' ' ' LEU . 2.7 mt -97.27 -68.12 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.702 ' HG3' HD22 ' A' ' 63' ' ' LEU . 4.5 mtp -89.7 109.63 20.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' CG ' ' CD1' ' A' ' 44' ' ' PHE . 4.8 mm-40 -110.52 83.89 1.84 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -163.38 175.01 39.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.461 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -122.16 120.48 34.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 0.723 . . . . 0.0 110.433 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 HG13 ' A' ' 61' ' ' ILE . 4.3 mp -109.32 133.68 52.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.624 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.9 OUTLIER -78.91 135.83 37.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.361 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -93.66 93.64 8.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.758 HG21 ' CB ' ' A' ' 113' ' ' ALA . 1.4 t -74.94 -175.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.746 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . 93.22 11.55 58.41 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 54' ' ' GLY . . . 89.58 59.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.44 ' CB ' ' HD2' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -138.77 -111.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.498 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -174.8 -174.7 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.609 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 4.9 mt-10 -70.26 161.6 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.496 ' NH2' HG11 ' A' ' 124' ' ' VAL . 25.6 mtm180 -159.72 113.6 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.847 ' CD2' ' CE2' ' A' ' 88' ' ' TYR . 1.6 m-70 -68.05 120.82 14.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.899 HG13 HD13 ' A' ' 50' ' ' LEU . 39.0 mm -95.82 127.35 47.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CE1' ' OE1' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -136.17 81.43 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.042 HD21 HD11 ' A' ' 144' ' ' LEU . 0.7 OUTLIER -71.78 127.73 33.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.7 m-30 -101.63 143.12 31.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.8 t0 -54.68 -17.06 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.439 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . -95.59 -39.37 4.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 64' ' ' PHE . 56.7 mt -157.27 178.47 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 0.714 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.845 ' HB2' HD12 ' A' ' 63' ' ' LEU . 13.5 ttm -103.83 114.15 28.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 69' ' ' ILE . 9.4 mm -110.07 139.63 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.652 ' SG ' HD12 ' A' ' 61' ' ' ILE . 75.5 m -142.9 112.51 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 108.234 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 15.2 p -96.21 129.03 43.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -75.51 144.86 41.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.577 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 36.2 t -130.38 97.38 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.178 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.498 ' ND2' ' HB2' ' A' ' 57' ' ' HIS . 3.5 m120 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.902 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.7 mt-10 -32.12 -41.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.847 ' CE2' ' CD2' ' A' ' 60' ' ' HIS . 3.1 m-85 -112.3 138.55 48.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -81.43 116.65 21.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.027 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.94 151.61 14.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.695 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -137.92 123.05 19.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 123.69 20.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.677 ' O ' ' HB3' ' A' ' 68' ' ' MET . 22.1 mttt -148.44 73.48 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 42.7 p90 -78.24 76.2 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.652 ' CE2' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -130.28 0.32 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.582 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.61 -19.71 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -89.71 -4.17 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 119.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.866 HG21 ' HG ' ' A' ' 141' ' ' LEU . 1.2 m -145.65 179.46 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -164.54 109.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.225 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.666 HD12 HG12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -98.32 138.61 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 104' ' ' LYS . 20.6 t30 -128.58 80.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.616 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 23.7 p-10 -60.8 82.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -107.76 79.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 28.4 t0 -132.63 169.68 16.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.765 ' O ' ' N ' ' A' ' 108' ' ' ASN . 4.6 t0 -139.65 9.68 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.623 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 16.07 -77.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.765 ' N ' ' O ' ' A' ' 106' ' ' ASP . 93.8 m-20 -32.6 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.2 tt0 -113.91 -27.64 7.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.564 ' O ' ' O ' ' A' ' 107' ' ' THR . 14.0 m-30 -107.03 -168.56 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -77.87 -93.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.545 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.8 OUTLIER -176.74 75.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.574 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.934 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -165.29 163.11 20.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.616 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -137.43 176.9 8.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.36 124.27 45.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.666 HG12 HD12 ' A' ' 101' ' ' ILE . 4.3 mp -118.13 141.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 17.8 mt -131.64 117.67 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.652 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -93.82 145.1 24.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.482 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -37.28 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.643 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 4.6 t0 -43.69 -22.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.556 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 7.5 tt0 90.2 24.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.494 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 3.6 t-20 -122.73 167.57 13.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 8.0 p -118.97 166.32 13.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 109.968 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.496 HG11 ' NH2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -149.4 176.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 20.3 mt -141.3 84.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.591 ' HB2' HD11 ' A' ' 116' ' ' ILE . 4.4 m-85 -80.35 144.39 32.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.934 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -124.25 108.75 12.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.139 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -108.0 146.06 33.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 9.92 14.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.2 112.32 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' A' ' 134' ' ' LYS . . . -47.23 -27.97 1.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -77.08 -44.99 28.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.374 1.046 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.776 ' O ' ' N ' ' A' ' 137' ' ' TRP . 15.5 mt-10 -63.65 -43.74 95.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 131' ' ' ALA . 9.7 pttt -57.42 -37.76 73.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.473 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 2.4 t30 -81.7 -40.13 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.2 m-80 -77.36 -21.04 53.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.139 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 36.5 m0 -73.31 -45.64 54.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.111 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -80.65 -48.31 12.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.445 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -52.3 -48.2 65.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.65 ' HB3' ' SD ' ' A' ' 46' ' ' MET . . . -55.65 -42.48 75.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.866 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -66.18 -52.51 47.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.63 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 19.4 mm -64.15 -17.38 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.065 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 139' ' ' ALA . 7.6 t -69.01 -46.36 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.042 HD11 HD21 ' A' ' 63' ' ' LEU . 17.7 mt -69.4 -61.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.6 tt0 -47.1 -22.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.355 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.63 ' CE1' ' CG2' ' A' ' 142' ' ' ILE . 0.9 OUTLIER -75.88 -26.69 57.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 111.092 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 144' ' ' LEU . 19.0 mtp85 -86.06 7.71 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.19 29.63 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -174.94 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -94.63 32.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.419 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 1.8 t-20 -160.97 22.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.366 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.714 HG22 ' CB ' ' A' ' 90' ' ' LEU . 1.8 pp -122.05 -128.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' N ' HD12 ' A' ' 29' ' ' ILE . 2.5 t70 -165.13 -72.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.647 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -126.3 16.91 6.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.647 ' C ' ' O ' ' A' ' 31' ' ' GLY . 32.7 t-105 . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.511 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 35.4 p90 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.522 0.201 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.485 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 3.4 mm -53.05 -61.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.515 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 1.1 ptm -144.14 142.61 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 15.0 pt-20 -119.93 119.13 32.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ILE . . . -155.7 166.55 32.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.747 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -120.14 118.82 31.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.392 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.908 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.4 OUTLIER -115.09 142.7 46.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -77.59 121.87 24.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HD3' ' HB3' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -83.28 98.0 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.805 HG21 ' HB3' ' A' ' 113' ' ' ALA . 2.0 t -74.27 -176.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.71 ' H ' HG12 ' A' ' 53' ' ' VAL . . . 75.65 1.39 66.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.611 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -150.01 -42.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 0.775 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 1.3 tttt 96.11 67.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 91.5 m-70 -161.41 167.81 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.632 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 73' ' ' SER . 1.3 mp0 -112.28 158.11 20.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.511 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 21.2 mtm180 -148.31 117.21 6.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' CYS . 1.4 t60 -66.96 92.06 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.554 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.161 HD11 ' CZ ' ' A' ' 126' ' ' PHE . 17.3 mm -59.64 153.36 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -170.72 90.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.391 1.057 . . . . 0.0 110.99 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.974 HD13 HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -88.81 129.07 35.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.483 ' CE2' HG12 ' A' ' 69' ' ' ILE . 16.7 m-85 -99.75 151.72 20.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.421 1.076 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.465 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 7.6 t0 -59.57 -16.86 28.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.809 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -91.59 -36.62 6.43 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.809 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -174.32 147.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 0.802 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -78.94 138.09 37.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.94 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.797 ' C ' HD12 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -147.89 136.86 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.607 ' N ' HD12 ' A' ' 69' ' ' ILE . 13.5 p -109.36 154.79 22.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 60' ' ' HIS . 3.9 m -118.45 107.46 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -73.57 121.32 20.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 58' ' ' GLU . 11.9 p -123.43 105.79 10.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.075 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.436 ' OD1' ' CE1' ' A' ' 57' ' ' HIS . 8.7 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' ALA . 14.2 mt-10 -35.8 -49.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 86' ' ' ALA . 8.9 m-85 -83.62 -160.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -141.38 136.14 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.009 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -93.76 156.02 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.685 ' N ' HD22 ' A' ' 90' ' ' LEU . 4.6 tttt -139.89 100.44 3.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.545 ' HG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -58.54 132.25 53.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 68' ' ' MET . 0.8 OUTLIER -136.55 75.41 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.655 ' CD1' HD13 ' A' ' 67' ' ' LEU . 20.0 m-85 -60.91 79.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.039 ' CE2' HD13 ' A' ' 118' ' ' LEU . 13.2 m-85 -139.93 6.47 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.891 ' HA ' HD13 ' A' ' 144' ' ' LEU . 1.3 tmt? -57.04 -14.1 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 98' ' ' LYS . 9.5 ttt180 -97.1 -7.11 33.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 110.241 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 2.4 mttt -175.06 130.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.662 ' CG2' HD23 ' A' ' 141' ' ' LEU . 2.4 m -151.99 -179.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' A' ' 117' ' ' ILE . 6.2 mt-30 -158.27 76.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.839 HG12 HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -77.67 135.78 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.2 m-20 -128.3 75.54 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.787 ' HA ' ' HB2' ' A' ' 114' ' ' PHE . 11.8 p-10 -59.22 78.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -107.01 71.75 0.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.57 ' HB3' ' N ' ' A' ' 114' ' ' PHE . 2.4 p-10 -128.4 -152.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.602 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 2.9 m-20 -170.21 -173.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 108' ' ' ASN . 5.7 t -177.82 -149.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.445 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.588 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 64.5 t30 50.39 16.61 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.588 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 9.6 tt0 153.73 -20.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.602 ' CD2' ' HB2' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -95.84 -167.37 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.408 ' H ' ' H ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -163.2 -17.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.567 ' O ' ' HB2' ' A' ' 105' ' ' ASP . 13.8 t-160 -53.2 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.805 ' HB3' HG21 ' A' ' 53' ' ' VAL . . . -50.02 -179.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.821 ' HZ ' HD23 ' A' ' 50' ' ' LEU . 44.7 p90 -102.95 165.64 10.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -107.75 144.07 35.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.839 HG23 HG12 ' A' ' 101' ' ' ILE . 2.6 mp -118.81 156.59 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 100' ' ' GLN . 56.5 mt -148.18 103.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.039 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -106.64 176.15 5.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.519 ' CB ' ' CD1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -51.49 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 6.4 m-20 60.87 13.06 4.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 49.51 72.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 1.0 OUTLIER -139.2 141.71 37.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.559 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -119.5 159.49 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.546 ' HB ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -142.96 178.85 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.496 ' CG2' ' HB ' ' A' ' 53' ' ' VAL . 6.9 mt -142.81 84.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 1.161 ' CZ ' HD11 ' A' ' 61' ' ' ILE . 8.6 m-85 -96.56 136.42 37.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.628 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -108.24 126.74 53.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.074 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -111.78 140.63 46.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -114.63 13.48 17.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.47 ' CB ' ' HG3' ' A' ' 133' ' ' GLU . 1.2 m -130.72 113.68 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.491 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -47.63 -35.59 9.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -74.25 -38.87 63.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.805 ' O ' ' N ' ' A' ' 137' ' ' TRP . 29.1 mt-10 -62.54 -48.26 80.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.543 ' O ' ' HG2' ' A' ' 138' ' ' MET . 10.2 ptmt -53.87 -44.64 70.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.1 t30 -70.11 -46.28 65.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -75.94 -15.22 60.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.074 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 29.0 m0 -80.14 -40.96 26.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 108.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.627 ' HA ' HG21 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -89.8 -35.21 15.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -61.81 -46.76 88.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -56.04 -49.2 74.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.662 HD23 ' CG2' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -66.1 -47.65 73.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.525 HG12 HG22 ' A' ' 101' ' ' ILE . 13.8 mm -61.49 -22.53 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 139' ' ' ALA . 5.9 t -69.36 -38.49 78.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.068 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.974 HD11 HD13 ' A' ' 63' ' ' LEU . 82.5 mt -68.75 -62.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.522 ' HB2' HG22 ' A' ' 99' ' ' VAL . 40.5 tp60 -47.06 -22.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.861 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.9 OUTLIER -82.39 -40.05 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -77.21 51.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.629 1.206 . . . . 0.0 110.345 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.35 33.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -179.55 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.861 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.539 ' N ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -116.98 42.19 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.601 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m-20 -148.3 -30.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.064 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -56.37 -161.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -145.69 -84.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -104.19 8.95 49.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.579 1.175 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 34.4 t-105 . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.425 ' CE1' ' HE1' ' A' ' 64' ' ' PHE . 11.3 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.519 0.2 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.876 HD12 HD21 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -42.69 -65.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.59 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -138.24 135.51 35.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.598 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 1.9 mp0 -115.2 115.93 27.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -163.74 163.32 35.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.413 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -115.79 121.45 42.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 0.744 . . . . 0.0 110.414 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 HG13 ' A' ' 61' ' ' ILE . 3.8 mp -112.79 144.89 41.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -100.84 144.37 29.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.403 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.7 ttp85 -93.35 102.53 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.845 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -77.67 71.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.715 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -149.72 7.09 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 159.87 39.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 0.722 . . . . 0.0 109.352 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 55' ' ' ALA . 4.6 pttm 44.39 75.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -137.71 144.62 41.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 24.9 mt-10 -114.41 163.24 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -160.82 126.24 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.64 101.9 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.634 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.899 HG13 HD13 ' A' ' 50' ' ' LEU . 27.8 mm -78.98 143.15 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CD2' ' O ' ' A' ' 61' ' ' ILE . 17.1 m-85 -164.4 89.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -87.95 130.71 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.931 ' O ' ' N ' ' A' ' 66' ' ' GLY . 5.1 m-85 -115.45 73.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.481 ' CA ' HG13 ' A' ' 45' ' ' ILE . 25.2 t0 38.76 -71.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.931 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -36.14 -44.39 0.78 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -175.08 156.3 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.64 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -87.07 121.53 29.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 91' ' ' LYS . 29.1 mm -107.75 141.8 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 4.6 m -125.49 122.3 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 108.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.3 m -89.8 138.12 31.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -87.84 112.72 22.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.564 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.2 t -117.42 100.33 7.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 t30 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.064 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 86' ' ' ALA . 20.8 mt-10 -34.25 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 11.2 m-30 -108.9 -168.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.451 ' HG3' ' CB ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -142.76 118.33 10.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.694 HD22 ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.38 156.44 10.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.655 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.1 tppt? -140.06 151.77 45.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.49 120.96 30.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.622 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -139.97 79.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -62.48 80.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.922 ' CE1' HD22 ' A' ' 118' ' ' LEU . 3.1 m-85 -90.67 -37.66 13.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.569 ' HA ' HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -50.61 -17.71 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' PHE . 19.8 ttt180 -83.47 -52.65 6.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' C ' HG13 ' A' ' 99' ' ' VAL . 4.8 tttt -175.98 141.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.716 HG21 HD23 ' A' ' 141' ' ' LEU . 4.2 m -151.33 -177.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -160.03 79.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.862 HG12 HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -74.0 112.02 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -112.5 81.63 1.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.612 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 5.6 p-10 -78.36 113.28 16.21 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -129.75 75.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.264 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.91 178.42 4.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.767 ' O ' ' N ' ' A' ' 108' ' ' ASN . 44.9 m-20 -146.87 14.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER 14.83 -76.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.767 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -32.58 -32.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.6 tt0 -113.05 -28.55 7.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.584 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.7 m-30 -109.53 -166.28 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.739 ' O ' HG22 ' A' ' 107' ' ' THR . 0.2 OUTLIER -82.33 -95.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.54 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 1.5 t60 -175.33 78.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.614 ' HB1' ' O ' ' A' ' 126' ' ' PHE . . . -158.46 164.27 36.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.612 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -143.03 164.14 30.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.591 ' C ' HD13 ' A' ' 116' ' ' ILE . 1.9 mt-10 -93.64 129.3 39.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.862 HD12 HG12 ' A' ' 101' ' ' ILE . 1.5 mm -110.38 156.6 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 100' ' ' GLN . 84.5 mt -147.8 129.65 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.922 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -122.48 136.99 55.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.362 1.039 . . . . 0.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.479 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -40.74 -30.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.5 OUTLIER -45.23 -22.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 4.9 tt0 91.18 39.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -146.23 154.23 41.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.392 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 92.3 p -120.39 164.39 16.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.67 173.28 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.824 HG22 ' HB ' ' A' ' 53' ' ' VAL . 4.8 mp -138.87 79.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.626 ' CD2' HD22 ' A' ' 50' ' ' LEU . 4.3 m-85 -69.69 153.43 43.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.599 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -139.14 103.58 4.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.114 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -102.64 163.36 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.56 -5.7 9.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.536 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -111.72 118.22 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -49.25 -29.42 5.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -76.36 -42.52 44.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.696 ' O ' ' N ' ' A' ' 137' ' ' TRP . 7.5 mm-40 -59.52 -44.58 93.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 11.4 pttt -59.22 -40.51 86.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 138' ' ' MET . 0.7 OUTLIER -75.79 -39.01 57.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -79.83 -17.57 52.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.114 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 35.8 m0 -78.22 -47.38 18.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 108.038 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.455 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -74.82 -46.91 33.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 111.059 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.455 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -55.36 -44.54 76.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.502 ' HB2' ' SD ' ' A' ' 46' ' ' MET . . . -58.9 -37.96 77.81 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.716 HD23 HG21 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -70.77 -52.62 19.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.528 HG12 HG22 ' A' ' 101' ' ' ILE . 25.6 mm -64.31 -20.9 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 139' ' ' ALA . 45.0 t -71.11 -38.41 72.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.085 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.876 HD21 HD12 ' A' ' 45' ' ' ILE . 22.9 mt -67.71 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.596 ' HB2' HG22 ' A' ' 99' ' ' VAL . 7.7 tm0? -45.7 -24.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.788 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.2 OUTLIER -72.34 -29.19 63.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -85.79 42.9 1.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 110.199 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.98 38.87 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.021 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 176.8 -35.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.0 51.02 1.03 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.511 ' O ' ' O ' ' A' ' 29' ' ' ILE . 6.3 t30 -173.61 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.08 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.2 pp -54.58 -158.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -141.49 -77.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.554 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -108.03 9.19 36.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 7.9 t-105 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.608 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.447 0.165 . . . . 0.0 110.961 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.625 HG22 ' CG ' ' A' ' 46' ' ' MET . 0.6 OUTLIER -70.43 -74.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.76 ' HB2' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -133.85 139.5 46.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -115.21 135.49 54.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.87 170.97 43.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.095 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.794 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -123.92 114.67 20.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 110.405 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.896 HD13 HG13 ' A' ' 61' ' ' ILE . 3.4 mp -113.15 144.01 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -102.38 148.14 25.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.436 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.542 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.1 ttt180 -95.11 104.78 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.855 ' O ' HG12 ' A' ' 53' ' ' VAL . 2.1 t -81.38 73.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.729 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -160.9 23.88 0.25 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 160.22 -20.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 16.9 tttp 94.2 77.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' ' HB3' ' A' ' 55' ' ' ALA . 89.2 m-70 -140.79 149.96 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' SER . 39.7 tt0 -122.38 157.52 31.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.483 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 1.7 ptp85 -160.99 137.68 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.794 ' HA ' HG23 ' A' ' 49' ' ' THR . 2.5 t60 -83.71 89.83 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.665 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.896 HG13 HD13 ' A' ' 50' ' ' LEU . 34.2 mm -59.97 146.5 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 109.228 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -161.04 84.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.76 HD21 ' HB2' ' A' ' 46' ' ' MET . 0.6 OUTLIER -76.56 128.55 34.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 16.8 m-85 -103.88 153.77 20.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HA ' HG13 ' A' ' 45' ' ' ILE . 1.7 t0 -72.88 57.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 172.53 -30.39 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.563 HD22 ' CB ' ' A' ' 94' ' ' PHE . 24.5 mt -158.45 129.52 6.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.705 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -85.5 109.58 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.948 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 62' ' ' PHE . 1.2 tp -99.15 165.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -152.08 91.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.259 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 60' ' ' HIS . 5.3 m -67.64 110.96 3.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 108.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -71.53 161.86 30.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.627 ' CB ' ' CE2' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -158.35 110.5 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.08 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -35.69 -38.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.627 ' CE2' ' CB ' ' A' ' 73' ' ' SER . 4.3 m-85 -89.74 178.81 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -131.73 108.68 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.985 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.32 126.0 25.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.491 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -114.44 122.3 46.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 122.42 19.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 68' ' ' MET . 0.1 OUTLIER -139.6 77.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.676 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 45.0 p90 -82.83 75.79 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.705 ' CE1' ' HB3' ' A' ' 68' ' ' MET . 44.7 p90 -128.25 -15.82 4.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.982 ' HB2' HD13 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -38.64 -39.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 111.075 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.546 ' N ' ' HG2' ' A' ' 96' ' ' MET . 2.2 ttm180 -52.11 -18.43 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -173.63 99.57 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.664 HG12 ' CD2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -118.08 -178.99 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.547 ' N ' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -166.43 108.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.528 HG21 ' HA ' ' A' ' 138' ' ' MET . 0.1 OUTLIER -95.8 141.93 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.498 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -137.16 93.35 2.82 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.733 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 18.3 p-10 -62.63 80.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -102.94 93.24 4.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.652 ' CB ' ' O ' ' A' ' 113' ' ' ALA . 3.2 t70 175.48 -149.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.566 ' C ' ' HB2' ' A' ' 110' ' ' TYR . 0.3 OUTLIER 178.2 -160.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.988 HG22 ' O ' ' A' ' 111' ' ' LYS . 1.7 p -147.46 -57.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.474 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -45.66 -24.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.597 ' HG2' ' CE1' ' A' ' 110' ' ' TYR . 14.8 tt0 -131.05 -2.4 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 109' ' ' GLU . 4.7 m-85 -137.81 -168.1 2.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.988 ' O ' HG22 ' A' ' 107' ' ' THR . 0.6 OUTLIER -86.78 -93.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.547 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 0.9 OUTLIER -179.87 79.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.532 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.652 ' O ' ' CB ' ' A' ' 105' ' ' ASP . . . -152.9 -174.57 4.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.733 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -170.34 163.1 8.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.551 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -94.25 130.6 40.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.593 HG13 ' CD2' ' A' ' 126' ' ' PHE . 1.0 OUTLIER -103.18 167.13 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 100' ' ' GLN . 38.6 mt -153.25 104.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.682 ' HB2' ' CG ' ' A' ' 95' ' ' PHE . 2.2 pp -111.1 163.59 13.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -49.34 -178.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.68 12.12 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 53.23 79.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.504 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -153.11 129.13 10.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.36 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.6 p -110.71 157.08 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.051 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.6 t -137.16 174.36 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.696 HG22 ' HB ' ' A' ' 53' ' ' VAL . 28.2 mt -135.51 78.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.615 ' CD1' ' CB ' ' A' ' 50' ' ' LEU . 3.2 m-85 -71.81 152.56 42.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -134.27 102.63 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.935 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.062 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.03 152.59 20.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -9.86 12.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.5 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -110.78 117.01 32.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.37 -34.45 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -70.44 -39.26 74.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.721 ' O ' ' N ' ' A' ' 137' ' ' TRP . 6.4 mm-40 -60.96 -46.13 91.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -56.17 -44.44 79.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.2 t-20 -70.68 -42.63 70.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.7 OUTLIER -76.45 -16.82 59.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.062 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 36.6 m0 -80.61 -43.56 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -84.31 -35.74 23.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 111.019 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -64.45 -43.71 93.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.35 80.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.401 HD22 ' HB ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -72.05 -47.26 52.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.533 HG22 ' CE2' ' A' ' 146' ' ' TYR . 37.1 mm -65.76 -19.79 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -45.63 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.982 HD13 ' HB2' ' A' ' 96' ' ' MET . 53.3 mt -65.75 -59.15 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.448 ' CB ' ' H ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -50.35 -22.81 1.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.802 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -78.4 -36.22 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 51.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.02 29.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -177.52 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.802 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.6 pp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.252 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.518 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -101.29 33.85 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.598 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 1.2 t-20 -164.72 23.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.84 HG22 ' HB3' ' A' ' 90' ' ' LEU . 1.7 pp -110.46 -126.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -172.82 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.522 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -86.97 -10.23 72.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.522 ' C ' ' O ' ' A' ' 31' ' ' GLY . 11.7 t-105 . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.645 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 6.0 p90 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.494 0.187 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.571 HG12 ' N ' ' A' ' 65' ' ' ASP . 18.3 mm -56.93 -67.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.377 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ptm -143.68 143.79 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.16 127.98 54.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.237 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.6 167.94 41.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.578 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -117.78 119.1 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.434 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.868 HD13 HG13 ' A' ' 61' ' ' ILE . 4.5 mp -111.64 137.92 48.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.438 HG22 ' HB2' ' A' ' 127' ' ' SER . 1.0 OUTLIER -85.49 140.08 30.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.2 OUTLIER -94.42 98.18 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.097 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.2 t -84.85 70.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -147.83 1.58 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 173.04 34.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.724 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 0.2 OUTLIER 48.38 79.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 51.2 m-70 -163.39 146.71 10.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.557 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.93 173.82 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -163.04 143.66 9.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.578 ' HA ' HG23 ' A' ' 49' ' ' THR . 3.5 t-160 -89.4 100.73 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.868 HG13 HD13 ' A' ' 50' ' ' LEU . 23.5 mm -77.56 147.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.605 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -160.45 94.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.931 HD21 ' CD1' ' A' ' 144' ' ' LEU . 19.9 tp -80.76 115.29 20.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.771 ' CE2' HG21 ' A' ' 69' ' ' ILE . 15.8 m-30 -95.53 146.64 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.571 ' N ' HG12 ' A' ' 45' ' ' ILE . 14.8 t0 -57.98 -14.13 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.4 -39.55 4.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.756 HD22 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -175.53 151.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.593 ' O ' HD12 ' A' ' 67' ' ' LEU . 20.7 ttt -82.45 140.78 33.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.771 HG21 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -142.86 150.49 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.66 ' SG ' HD12 ' A' ' 61' ' ' ILE . 50.4 m -138.84 123.75 18.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 108.25 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -96.94 140.84 30.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 89' ' ' ARG . 4.3 ptmm? -88.3 133.46 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.377 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.579 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 12.5 p -134.21 124.59 26.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.01 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.575 ' CB ' HD12 ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 86' ' ' ALA . 15.7 mt-10 -33.28 -50.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.598 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 18.9 m-30 -64.0 -167.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.507 ' HB2' ' CG ' ' A' ' 72' ' ' LYS . 4.7 mtm180 -147.06 105.72 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.84 ' HB3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -63.89 146.6 53.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -122.26 144.83 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.599 1.187 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 6.5 pt-20 -89.18 112.52 23.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.623 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 11.9 mttp -121.71 74.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.756 ' CZ ' HD22 ' A' ' 67' ' ' LEU . 55.0 m-85 -65.77 75.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 1.033 ' CE2' HD13 ' A' ' 118' ' ' LEU . 5.6 m-85 -135.01 1.16 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.456 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -56.52 -13.87 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 111.022 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.443 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -97.79 -8.21 28.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.238 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -174.47 129.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.765 HG22 ' HB3' ' A' ' 145' ' ' GLN . 4.3 m -148.55 -178.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.4 mt-30 -164.93 80.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.595 HD11 ' CE2' ' A' ' 114' ' ' PHE . 0.2 OUTLIER -75.87 137.58 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 115' ' ' GLU . 2.2 t-20 -134.58 79.45 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.894 ' HA ' ' HB2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -61.6 83.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -94.25 86.07 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -148.33 164.52 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.843 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -141.57 15.57 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.67 HG21 ' CE1' ' A' ' 112' ' ' HIS . 2.9 p 17.9 -73.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.442 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.843 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.9 m120 -33.05 -30.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.37 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.619 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.6 tt0 -114.14 -27.69 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CD1' ' HB2' ' A' ' 106' ' ' ASP . 9.0 m-85 -109.77 -167.6 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -82.96 -90.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.67 ' CE1' HG21 ' A' ' 107' ' ' THR . 0.2 OUTLIER -175.47 76.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.623 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.972 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -164.24 158.07 18.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.894 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 14.1 p90 -142.35 176.66 8.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -108.96 127.71 54.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.238 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 116' ' ' ILE . 3.6 mp -102.53 164.2 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.456 ' N ' HG22 ' A' ' 116' ' ' ILE . 48.1 mt -152.93 103.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.033 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -103.73 158.28 16.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -46.63 174.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.43 0.87 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.27 80.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -157.26 135.13 10.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.386 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 30.4 p -116.37 165.77 12.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.599 ' HB ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -143.22 178.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.814 HG21 ' O ' ' A' ' 53' ' ' VAL . 5.3 mp -138.83 82.91 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.703 ' CD2' HD22 ' A' ' 50' ' ' LEU . 5.8 m-30 -83.78 165.97 18.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.972 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -145.1 100.26 3.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.191 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -98.53 141.97 30.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -6.1 13.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.526 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 1.4 m -107.68 112.43 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.17 -35.32 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -73.53 -45.28 54.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.728 ' O ' ' N ' ' A' ' 137' ' ' TRP . 10.0 mm-40 -59.2 -44.38 92.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.5 OUTLIER -56.93 -42.33 79.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.579 ' O ' ' HE2' ' A' ' 138' ' ' MET . 36.0 t-20 -75.36 -41.41 56.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.0 OUTLIER -76.98 -15.74 59.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.221 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.191 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 35.5 m0 -81.2 -40.48 23.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 108.053 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.579 ' HE2' ' O ' ' A' ' 135' ' ' ASN . 0.3 OUTLIER -89.32 -36.23 15.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.047 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -64.54 -46.05 84.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.53 -46.74 77.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.579 HD11 ' CE ' ' A' ' 68' ' ' MET . 1.5 mp -67.01 -43.27 83.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.661 HD13 ' HG2' ' A' ' 145' ' ' GLN . 2.9 mm -67.97 -18.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 139' ' ' ALA . 19.2 t -71.54 -41.17 69.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.931 ' CD1' HD21 ' A' ' 63' ' ' LEU . 18.4 mt -71.66 -62.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.765 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -49.48 -21.51 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.542 ' CE1' HG23 ' A' ' 142' ' ' ILE . 0.4 OUTLIER -70.14 -27.74 64.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -93.32 17.84 10.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.91 30.23 4.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.74 -40.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HB3' ' CE ' ' A' ' 27' ' ' LYS . 1.1 mm-40 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' CE ' ' HB3' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -102.95 57.69 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.651 ' ND2' ' CD2' ' A' ' 88' ' ' TYR . 1.1 t-20 -173.37 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.078 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.6 pp -52.97 -156.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.533 ' HB3' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -136.65 -71.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.552 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -115.93 8.02 19.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 111.063 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.552 ' C ' ' O ' ' A' ' 31' ' ' GLY . 8.9 t-105 . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' HE1' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.503 0.192 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 63' ' ' LEU . 1.1 mm -74.85 -73.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.947 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -125.71 123.77 39.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 4.3 pm0 -110.74 113.12 25.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -168.98 165.46 38.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.401 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -117.49 125.01 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.921 HD13 HG13 ' A' ' 61' ' ' ILE . 3.3 mp -114.9 145.0 42.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.733 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.6 OUTLIER -95.07 124.78 39.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.456 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -77.56 85.08 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.828 HG12 HG21 ' A' ' 125' ' ' ILE . 1.1 t -60.04 174.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.643 ' N ' HG13 ' A' ' 53' ' ' VAL . . . 84.0 -17.92 24.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . -145.66 15.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' ALA . 16.1 tttp 37.89 76.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 13.1 m-70 -147.84 151.24 35.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.561 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 6.6 tt0 -110.88 158.99 18.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -160.74 123.33 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 102.65 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.921 HG13 HD13 ' A' ' 50' ' ' LEU . 43.1 mm -79.41 144.9 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.518 ' O ' HG22 ' A' ' 69' ' ' ILE . 12.3 m-85 -160.61 79.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.103 HD13 HD11 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -67.85 135.97 53.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.833 ' N ' HD12 ' A' ' 63' ' ' LEU . 17.2 m-85 -111.6 160.41 17.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -65.52 -9.75 28.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.37 -35.63 3.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -177.41 148.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 0.813 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.745 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -74.19 128.11 34.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 111.045 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 62' ' ' PHE . 1.1 tp -112.39 155.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 3.6 m -143.99 106.25 4.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 108.36 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 5.2 m -83.07 123.55 29.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 1.4 mttm -67.11 147.32 53.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 88' ' ' TYR . 17.4 t -151.1 104.9 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.078 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' ALA . 20.1 mt-10 -34.49 -44.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.651 ' CD2' ' ND2' ' A' ' 28' ' ' ASN . 11.9 m-30 -79.1 179.31 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 111.083 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 15.3 ttp85 -136.26 116.68 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.701 HD22 ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.92 143.66 47.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 5.5 tttp -124.75 146.22 49.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.78 120.26 33.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 19.1 mttt -138.47 86.6 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -58.66 91.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.647 ' HE2' HD11 ' A' ' 141' ' ' LEU . 3.6 m-30 -105.44 -40.41 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.486 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -45.88 -18.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 95' ' ' PHE . 16.0 tpt180 -85.99 -53.11 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 99' ' ' VAL . 11.3 tptt -174.66 144.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.665 HG22 ' HB3' ' A' ' 145' ' ' GLN . 5.1 m -150.44 175.54 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 117' ' ' ILE . 1.3 mt-30 -158.65 101.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.198 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 138' ' ' MET . 0.2 OUTLIER -95.12 141.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.486 ' N ' HG13 ' A' ' 101' ' ' ILE . 1.6 m-80 -130.22 79.98 1.93 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.603 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 19.5 p-10 -61.33 80.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -103.49 73.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 106' ' ' ASP . 0.4 OUTLIER -142.62 -161.42 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.138 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.669 ' C ' HG23 ' A' ' 107' ' ' THR . 3.1 p-10 165.68 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.669 HG23 ' C ' ' A' ' 106' ' ' ASP . 2.7 p 70.37 -5.17 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.433 1.083 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 106' ' ' ASP . 9.7 t-20 -62.4 -7.67 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -153.95 -22.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -110.02 -175.21 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.567 ' HE2' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -70.53 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.567 ' CE1' ' HE2' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -178.98 76.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.56 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 126' ' ' PHE . . . -156.6 158.22 36.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.603 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -128.12 178.24 6.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 111.092 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 22.2 pt-20 -106.19 128.35 53.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.735 ' CD1' ' CD2' ' A' ' 126' ' ' PHE . 1.4 mp -106.94 166.07 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 117' ' ' ILE . 33.0 mt -147.81 78.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.346 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 2.5 pp -79.71 176.57 9.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.481 ' O ' HD12 ' A' ' 118' ' ' LEU . 8.9 tptp -53.84 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 52.69 19.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 43.91 65.46 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -132.83 136.56 46.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -107.36 148.3 29.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.994 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -130.63 178.11 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.828 HG21 HG12 ' A' ' 53' ' ' VAL . 1.8 mp -141.32 85.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.735 ' CD2' ' CD1' ' A' ' 116' ' ' ILE . 3.9 m-85 -80.19 146.05 31.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.733 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -125.0 107.73 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.937 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.076 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -108.77 161.69 14.88 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -129.32 2.14 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.242 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.508 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 1.3 m -114.34 108.66 17.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.058 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 130' ' ' SER . . . -36.64 -39.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.18 -57.78 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.744 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 38.2 mm-40 -44.94 -40.45 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.914 ' HG2' ' HB3' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -62.1 -38.39 88.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.406 1.066 . . . . 0.0 109.38 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 30.8 t-20 -82.63 -37.79 24.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 140' ' ' ALA . 1.3 m-20 -75.19 -26.05 58.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.076 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 38.7 m0 -69.87 -48.55 58.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 1.165 . . . . 0.0 108.042 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.612 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -77.66 -48.89 15.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -53.15 -45.02 68.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 136' ' ' ASN . . . -58.53 -42.89 88.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.647 HD11 ' HE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -63.68 -46.63 84.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.491 HG12 ' CG2' ' A' ' 101' ' ' ILE . 3.5 mm -69.16 -16.68 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.3 t -68.45 -40.98 80.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.103 HD11 HD13 ' A' ' 63' ' ' LEU . 18.0 mt -70.05 -64.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.665 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -45.52 -23.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.908 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -68.42 -30.9 69.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -87.42 46.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.28 35.02 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.03 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.372 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.908 HD23 ' O ' ' A' ' 146' ' ' TYR . 2.1 pp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.653 ' NE2' ' CD2' ' A' ' 32' ' ' TRP . 2.5 mt-30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 32.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.793 ' ND2' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m120 -164.07 24.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 30' ' ' ASP . 1.8 pp -112.29 -127.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.944 ' HB3' HD12 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -164.29 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.538 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -106.59 5.92 38.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.653 ' CD2' ' NE2' ' A' ' 26' ' ' GLN . 13.6 t-105 . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.673 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 3.8 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.507 0.194 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.988 HD12 HD21 ' A' ' 144' ' ' LEU . 1.6 mt -105.83 -63.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.814 ' SD ' HD23 ' A' ' 63' ' ' LEU . 17.3 ptt? -125.56 132.92 52.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 2.1 pp20? -123.2 116.68 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -171.0 163.78 36.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.801 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -113.59 125.92 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 110.367 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.822 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -120.82 156.95 30.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.59 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.7 OUTLIER -103.21 122.82 45.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.5 ttt-85 -78.86 92.72 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.54 ' CG1' ' N ' ' A' ' 54' ' ' GLY . 0.9 OUTLIER -62.28 167.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.54 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 100.85 -18.32 55.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . -159.1 24.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.9 pttp 36.78 77.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -137.36 146.03 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.621 1.201 . . . . 0.0 109.635 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 73' ' ' SER . 12.4 tt0 -112.7 154.52 26.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HB3' ' HA ' ' A' ' 72' ' ' LYS . 11.1 ptp180 -163.94 128.46 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.91 96.03 2.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.629 1.205 . . . . 0.0 109.643 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.793 ' CG1' HD13 ' A' ' 50' ' ' LEU . 38.6 mm -69.05 152.47 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.673 ' CE1' ' CD1' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -170.59 89.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.081 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.13 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -75.02 123.33 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.625 ' CE2' HG21 ' A' ' 69' ' ' ILE . 9.9 m-30 -98.31 148.21 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' O ' ' HE1' ' A' ' 96' ' ' MET . 6.7 t0 -57.08 -12.69 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.703 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -95.32 -41.73 3.89 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.96 HD13 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -175.84 150.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.356 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -67.64 134.19 50.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.814 HD13 ' N ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -137.69 133.44 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.814 ' N ' HD13 ' A' ' 69' ' ' ILE . 31.0 p -125.53 130.56 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.316 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 10.9 m -93.77 114.75 27.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -66.29 128.71 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.376 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.615 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 16.8 t -126.58 139.93 52.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 47.3 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 86' ' ' ALA . 32.5 mt-10 -30.47 -57.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.793 ' CD2' ' ND2' ' A' ' 28' ' ' ASN . 11.2 m-30 -64.86 -168.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.46 ' HB3' ' CG ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -146.96 115.98 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.07 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.3 153.86 17.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -138.07 109.91 7.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 1.3 mt-10 -69.04 130.47 42.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -134.03 76.65 1.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.96 ' CD1' HD13 ' A' ' 67' ' ' LEU . 2.0 m-85 -71.6 71.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.685 ' HD2' HD22 ' A' ' 118' ' ' LEU . 2.0 m-85 -138.6 -2.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.81 ' HB2' HD13 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -46.85 -40.82 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.444 ' N ' ' HG2' ' A' ' 96' ' ' MET . 46.4 ttt180 -64.27 -4.24 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.468 ' HG3' ' CB ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -171.19 101.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 95' ' ' PHE . 1.2 m -136.84 170.04 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.9 OUTLIER -151.86 122.51 7.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.553 HD12 ' CG1' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -116.26 138.52 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 115' ' ' GLU . 1.1 m120 -137.79 111.12 7.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -79.38 93.59 5.37 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.21 88.45 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -172.61 -149.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.517 ' C ' HG23 ' A' ' 107' ' ' THR . 1.3 t0 -158.09 -160.57 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.649 ' CG2' ' CG ' ' A' ' 112' ' ' HIS . 45.4 p -156.94 -144.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.582 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 0.7 OUTLIER 38.62 29.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.582 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 4.6 tt0 153.55 -25.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -105.24 -174.61 2.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.7 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -111.53 102.44 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.649 ' CG ' ' CG2' ' A' ' 107' ' ' THR . 0.2 OUTLIER -51.09 75.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.623 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.932 ' HB1' HG22 ' A' ' 125' ' ' ILE . . . -104.74 143.52 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.648 ' CD1' ' N ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -117.04 132.89 56.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.055 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.587 ' HA ' HD13 ' A' ' 125' ' ' ILE . 1.2 pt-20 -79.65 90.65 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.699 ' CD1' ' CD2' ' A' ' 126' ' ' PHE . 2.6 mp -77.73 158.55 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.582 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 26.3 mt -155.15 104.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.691 HD12 ' HB3' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -80.85 142.24 33.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.468 ' CB ' ' HG3' ' A' ' 98' ' ' LYS . 1.4 tmtt? -41.39 -28.84 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.646 ' CG ' ' CE1' ' A' ' 95' ' ' PHE . 8.1 t0 -51.21 -17.9 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 0.7 OUTLIER 92.27 16.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.691 ' HB3' HD12 ' A' ' 118' ' ' LEU . 25.0 t30 -102.69 167.47 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.609 1.193 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.44 ' C ' ' CG2' ' A' ' 124' ' ' VAL . 2.5 p -132.96 162.75 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.865 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -153.64 174.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.932 HG22 ' HB1' ' A' ' 113' ' ' ALA . 3.7 mm -143.59 82.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.699 ' CD2' ' CD1' ' A' ' 116' ' ' ILE . 22.3 m-30 -78.96 113.73 17.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.59 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -97.26 111.14 23.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.144 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -100.61 166.96 10.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.611 1.195 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -128.28 0.44 5.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.532 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 4.4 t -118.92 118.02 30.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.387 1.054 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 134' ' ' LYS . . . -48.3 -33.5 8.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -74.08 -45.15 51.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.242 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.691 ' O ' ' N ' ' A' ' 137' ' ' TRP . 9.4 mm-40 -62.15 -41.21 98.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -59.16 -38.37 79.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 5.8 t30 -80.24 -40.49 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.2 m-20 -77.13 -16.72 59.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.144 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 32.8 m0 -79.74 -44.62 20.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.538 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -82.92 -43.04 16.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.094 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -57.52 -46.84 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.456 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -55.3 -45.66 76.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.463 HD22 HG23 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -64.96 -49.99 68.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.443 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 1.1 mm -66.52 -17.31 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -68.18 -40.56 82.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.13 HD11 ' CD1' ' A' ' 63' ' ' LEU . 89.5 mt -71.42 -60.41 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -47.9 -22.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.544 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -73.51 -25.56 60.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.4 ttt85 -84.19 8.86 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.83 31.47 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -38.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.476 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 3.7 mt-30 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -89.55 11.14 20.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.387 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.542 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 6.4 m-20 -128.4 -30.48 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.081 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.7 pp -56.08 -149.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.584 ' N ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -149.77 -68.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -118.24 12.31 12.72 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.638 ' C ' ' O ' ' A' ' 31' ' ' GLY . 41.1 t-105 . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.611 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 32.3 p90 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.542 0.211 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.69 HD11 ' OD1' ' A' ' 65' ' ' ASP . 4.1 mm -40.86 -56.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.641 ' CE ' HD23 ' A' ' 63' ' ' LEU . 2.3 ptt? -133.98 148.72 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.15 113.73 16.76 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -165.35 163.54 36.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.698 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -112.75 130.88 55.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.381 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.825 HD23 ' CE3' ' A' ' 137' ' ' TRP . 0.9 OUTLIER -127.61 160.95 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -115.65 125.51 52.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.389 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.2 OUTLIER -83.16 104.06 13.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.6 t -83.87 72.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.674 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -151.59 9.53 0.67 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 164.61 39.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 45.96 75.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.536 ' CD2' ' HD2' ' A' ' 72' ' ' LYS . 5.6 m-70 -133.07 135.45 45.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.609 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -143.73 138.22 28.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.752 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -175.86 -174.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.693 ' O ' HD13 ' A' ' 61' ' ' ILE . 4.0 m80 -91.93 151.42 20.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.818 HD12 ' CB ' ' A' ' 70' ' ' CYS . 37.5 mm -126.26 128.31 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.448 ' O ' ' O ' ' A' ' 69' ' ' ILE . 3.6 m-85 -131.96 111.89 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.043 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -96.9 117.59 31.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.678 ' CE2' HG21 ' A' ' 69' ' ' ILE . 15.5 m-30 -87.3 150.46 23.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.69 ' OD1' HD11 ' A' ' 45' ' ' ILE . 2.2 t0 -67.41 0.75 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -111.17 -31.98 2.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.691 HD13 ' CA ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -172.13 138.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 109.252 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.617 ' N ' HD12 ' A' ' 67' ' ' LEU . 2.2 ttp -76.77 121.19 22.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.831 HG13 HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -126.56 145.72 33.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.818 ' CB ' HD12 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -136.61 126.56 25.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 108.257 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.752 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 6.0 p -100.51 102.98 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -93.32 150.53 20.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 109.233 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.637 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 7.1 t -146.89 165.71 28.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.081 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' ALA . 15.9 mt-10 -35.67 -54.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.637 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 0.8 OUTLIER -78.05 -175.73 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -130.21 110.45 11.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.062 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -66.34 142.92 57.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.779 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -120.02 99.57 6.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.29 99.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.514 ' C ' ' CD1' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -106.0 78.97 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.691 ' CA ' HD13 ' A' ' 67' ' ' LEU . 3.4 p90 -78.6 70.64 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.901 ' CD2' HD13 ' A' ' 118' ' ' LEU . 4.3 m-85 -137.87 -6.85 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.978 ' CB ' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -43.83 -42.43 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -16.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -171.99 99.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.775 HG21 ' HG ' ' A' ' 141' ' ' LEU . 1.9 m -122.82 -178.78 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.457 ' O ' ' O ' ' A' ' 117' ' ' ILE . 1.0 OUTLIER -162.74 100.48 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.215 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.979 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -88.61 139.42 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 104' ' ' LYS . 12.1 t30 -123.7 79.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.622 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 21.0 p-10 -62.43 79.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -83.26 76.96 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.24 166.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.755 ' O ' ' N ' ' A' ' 108' ' ' ASN . 1.3 m-20 -178.12 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.643 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 15.32 -77.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.755 ' N ' ' O ' ' A' ' 106' ' ' ASP . 13.4 m-80 -32.25 -32.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.9 tt0 -114.98 -26.16 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.207 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.608 ' CD2' ' HB2' ' A' ' 106' ' ' ASP . 8.8 m-30 -108.76 -168.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -89.67 -80.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 127' ' ' SER . 0.2 OUTLIER -175.69 79.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.55 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.921 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -169.21 167.31 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.622 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -137.12 169.97 16.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.24 124.94 43.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.979 HD12 HD12 ' A' ' 101' ' ' ILE . 2.7 mm -99.56 163.99 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.457 ' O ' ' O ' ' A' ' 100' ' ' GLN . 30.5 mt -151.41 94.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.901 HD13 ' CD2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -103.28 164.63 11.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -47.92 178.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.527 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 28.0 t0 66.64 8.93 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 52.87 74.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -149.96 122.26 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 71.4 p -100.38 150.28 22.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.428 ' C ' HG13 ' A' ' 125' ' ' ILE . 0.9 OUTLIER -125.86 172.32 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.398 1.061 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.685 HG22 ' HB ' ' A' ' 53' ' ' VAL . 3.2 mt -135.65 80.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD2' HG13 ' A' ' 116' ' ' ILE . 4.1 m-85 -79.67 133.46 36.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.921 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 35.8 m -111.67 110.76 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.188 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -116.26 146.21 42.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -111.07 -9.94 14.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.82 110.47 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.8 -35.7 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -69.34 -45.55 69.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.718 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -61.47 -39.3 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 138' ' ' MET . 7.7 ttpt -59.76 -36.97 77.75 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.522 1.139 . . . . 0.0 109.213 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 50.2 t-20 -84.77 -37.5 20.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.3 m-20 -75.61 -24.8 56.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.197 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.188 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 42.3 m0 -72.22 -48.94 39.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.005 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -76.1 -49.21 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -49.66 -43.59 47.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.486 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -60.68 -42.54 97.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.775 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -66.19 -48.48 70.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.429 HG12 ' CG2' ' A' ' 101' ' ' ILE . 5.5 mm -64.55 -20.43 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.52 -36.81 76.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.043 HD11 ' CD1' ' A' ' 63' ' ' LEU . 62.0 mt -70.28 -61.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -22.18 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.216 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.608 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -74.75 -26.96 60.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.94 36.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.04 28.76 8.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.67 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.3 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.53 53.46 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.639 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 2.9 t-20 -176.13 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.051 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.2 pp -59.63 -151.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -144.08 -74.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -111.22 14.38 28.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.491 ' C ' ' O ' ' A' ' 31' ' ' GLY . 47.8 t-105 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.496 0.188 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.065 HD12 HD21 ' A' ' 144' ' ' LEU . 3.0 mt -75.51 -67.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.789 ' HG3' HG22 ' A' ' 45' ' ' ILE . 3.1 mtt -139.06 130.11 26.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 62' ' ' PHE . 11.5 pt-20 -109.45 137.5 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.92 162.21 34.39 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.419 1.074 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.565 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -112.22 112.91 24.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.847 HD22 ' CD2' ' A' ' 126' ' ' PHE . 4.1 mp -110.4 136.36 49.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.9 OUTLIER -90.39 130.92 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.439 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.527 ' HG2' HG12 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -86.23 80.71 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.887 HG12 HG21 ' A' ' 125' ' ' ILE . 1.0 OUTLIER -62.19 173.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.741 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . 104.15 10.25 34.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 54' ' ' GLY . . . 89.27 47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.24 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -121.94 -105.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 74' ' ' ASN . 0.2 OUTLIER -174.86 -175.89 0.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 6.8 mt-10 -85.16 164.76 17.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 71' ' ' CYS . 5.9 mtp180 -158.25 132.53 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.565 ' HA ' HG23 ' A' ' 49' ' ' THR . 3.0 t60 -85.36 92.42 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.76 ' CG1' HD13 ' A' ' 50' ' ' LEU . 39.5 mm -67.74 157.24 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -170.04 84.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.141 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -70.48 123.56 22.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.633 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 14.4 m-30 -100.52 153.14 19.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.487 ' N ' HG13 ' A' ' 45' ' ' ILE . 13.0 t0 -67.59 56.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.621 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 173.51 -41.24 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 66' ' ' GLY . 66.4 mt -164.19 128.76 2.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 0.724 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.664 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -88.2 141.1 28.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.954 HD13 ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -130.89 157.89 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.0 p -128.07 128.79 45.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.326 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 2.5 m -90.13 125.64 35.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.335 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.444 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 4.2 tttp -71.57 103.81 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.585 ' HA ' ' CD1' ' A' ' 88' ' ' TYR . 58.1 m -110.18 107.96 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 57' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.051 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 86' ' ' ALA . 19.7 mt-10 -34.48 -50.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.639 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 14.0 m-30 -88.71 -177.26 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -131.73 110.73 11.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.037 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -66.46 148.7 51.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.718 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -137.3 126.65 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.256 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.32 128.13 35.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.1 mptp? -138.32 88.37 2.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.565 ' HA ' HD22 ' A' ' 67' ' ' LEU . 65.0 m-85 -58.77 90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 141' ' ' LEU . 3.3 m-85 -104.2 -50.36 3.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.704 ' CA ' HD13 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -43.12 -21.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -82.33 -52.42 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.467 ' C ' HG13 ' A' ' 99' ' ' VAL . 8.1 tttp -173.94 148.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.645 HG22 ' HB3' ' A' ' 145' ' ' GLN . 11.4 m -154.79 -177.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.8 mt-30 -165.74 102.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 1.047 HD12 HD12 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -90.06 106.75 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 0.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.33 88.18 3.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.617 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 13.1 p-10 -69.46 95.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 109.216 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.05 80.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.688 ' CB ' ' O ' ' A' ' 113' ' ' ALA . 2.0 t70 -158.63 -148.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 107' ' ' THR . 1.5 t0 -172.62 -157.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 106' ' ' ASP . 17.3 p -158.49 -60.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -44.96 -23.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.254 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.56 ' HG2' ' CE1' ' A' ' 110' ' ' TYR . 33.7 tt0 -128.68 -10.14 5.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 109' ' ' GLU . 2.5 m-85 -129.01 -170.29 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.601 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 4.1 tttt -80.3 -96.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.601 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 24.3 p80 178.44 78.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.384 1.053 . . . . 0.0 109.617 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.688 ' O ' ' CB ' ' A' ' 105' ' ' ASP . . . -153.39 -172.58 4.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.617 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -170.63 166.61 8.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.885 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -85.63 120.27 26.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 1.047 HD12 HD12 ' A' ' 101' ' ' ILE . 1.3 mm -107.23 124.54 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 100' ' ' GLN . 21.6 mt -111.46 128.51 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.593 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -115.58 140.14 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -44.13 -25.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -57.02 -7.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 73.01 42.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.417 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -141.01 142.09 34.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -108.53 151.8 25.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.5 t -140.29 175.08 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.887 HG21 HG12 ' A' ' 53' ' ' VAL . 8.3 mt -130.63 80.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PHE . . . . . 0.847 ' CD2' HD22 ' A' ' 50' ' ' LEU . 10.2 m-30 -74.43 132.56 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -113.82 109.36 18.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.954 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.102 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -107.5 132.11 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.02 -4.09 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -108.75 108.77 19.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -42.9 -38.85 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -68.27 -42.59 79.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.722 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 13.2 mt-10 -61.84 -40.22 94.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 138' ' ' MET . 5.6 ttpt -61.18 -34.67 75.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 138' ' ' MET . 5.2 t-20 -85.07 -36.16 21.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 0.9 OUTLIER -79.74 -23.16 42.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 1.102 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 41.2 m0 -73.18 -50.01 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.003 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' MET . . . . . 0.483 ' HA ' HG21 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -68.12 -54.31 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -51.62 -43.23 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 136' ' ' ASN . . . -61.24 -38.7 87.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.82 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -71.66 -52.91 15.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.51 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 10.9 mm -68.02 -15.04 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.173 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 139' ' ' ALA . 9.3 t -69.31 -45.42 69.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 1.141 HD11 ' CD1' ' A' ' 63' ' ' LEU . 24.8 mt -70.19 -63.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLN . . . . . 0.645 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -45.7 -24.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -72.09 -27.79 62.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -94.62 35.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.3 t -113.99 27.96 9.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.26 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.564 ' CB ' ' CH2' ' A' ' 32' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 1.4 p-10 -76.04 -46.61 28.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.25 -3.92 53.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.403 ' O ' HG13 ' A' ' 29' ' ' ILE . 7.6 mt -111.41 -26.8 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -57.61 -18.7 21.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HG3' ' CB ' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -101.32 43.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.461 ' ND2' ' CD1' ' A' ' 88' ' ' TYR . 2.0 t-20 -177.04 21.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.779 HG22 ' HB3' ' A' ' 90' ' ' LEU . 2.0 pp -123.18 -130.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HB3' ' CD1' ' A' ' 90' ' ' LEU . 1.3 t0 -165.78 -88.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.558 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -99.6 13.16 61.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.637 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 17.5 t-105 30.52 65.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HB2' HD21 ' A' ' 90' ' ' LEU . 6.5 mm-40 -57.33 162.05 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.57 155.58 26.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -106.56 88.02 2.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.38 104.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' CYS . 7.6 pt -112.21 -33.46 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' HA2' ' CB ' ' A' ' 42' ' ' ASN . . . -55.29 -20.17 20.7 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -98.0 -23.95 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 13.8 m -91.18 -17.79 25.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER 159.89 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.279 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' CB ' ' HA2' ' A' ' 38' ' ' GLY . 64.0 t30 67.9 10.58 7.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -74.34 81.74 1.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.638 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 42.2 p90 -38.57 95.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 4.2 mt -54.98 -56.11 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.991 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -125.6 127.6 46.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.67 115.21 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.49 163.09 36.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.407 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -116.37 122.43 44.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.406 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.861 HD22 ' CD2' ' A' ' 126' ' ' PHE . 3.4 mp -113.93 145.23 41.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.604 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -97.82 140.48 32.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 2.1 ttm-85 -93.22 102.19 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 53' ' ' VAL . 3.1 t -78.05 70.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.707 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -148.5 7.05 0.94 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 160.58 40.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? 44.32 74.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -138.97 144.43 38.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.579 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 73' ' ' SER . 7.1 pt-20 -127.19 158.41 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.421 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 2.4 ptm180 -162.16 139.26 8.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -81.25 97.59 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.555 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.754 HG13 HD13 ' A' ' 50' ' ' LEU . 50.5 mm -67.82 148.67 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.616 ' O ' HG22 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -158.03 85.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.991 HD23 ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -72.15 114.45 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.729 ' CZ ' HG21 ' A' ' 69' ' ' ILE . 12.8 m-30 -91.45 151.68 20.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.435 ' CA ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -63.22 -1.95 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -111.15 -34.03 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -173.87 179.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.582 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -100.71 131.35 46.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -129.62 119.3 47.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.528 ' N ' HD13 ' A' ' 69' ' ' ILE . 10.6 m -105.29 114.49 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 108.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 69' ' ' ILE . 8.8 m -86.6 102.29 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 108.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -57.57 149.97 20.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.584 ' OG ' ' CE2' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -153.73 110.77 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -133.62 -60.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -130.63 -173.21 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -104.55 176.63 23.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -143.11 156.37 61.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -169.4 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.71 21.36 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.2 mt -65.75 -44.89 65.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -75.03 -1.12 10.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.65 29.37 9.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 66.33 93.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.96 177.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.474 ' CB ' ' HG3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER 171.31 51.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -105.86 56.54 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -41.94 -28.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.584 ' CE2' ' OG ' ' A' ' 73' ' ' SER . 13.5 m-85 -95.71 -164.93 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -153.16 110.55 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.779 ' HB3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.86 125.21 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -112.86 124.94 53.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -60.13 122.43 14.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.714 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -145.08 74.39 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 67' ' ' LEU . 7.0 p90 -89.27 77.74 7.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.257 ' CE2' HD22 ' A' ' 118' ' ' LEU . 2.2 p90 -140.55 -19.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.904 ' HB3' HD12 ' A' ' 144' ' ' LEU . 2.0 mmt -39.57 -28.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' PHE . 1.2 ttt180 -59.99 -9.99 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' PHE . 19.4 tttt -173.87 84.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.68 ' CG1' ' HA ' ' A' ' 96' ' ' MET . 5.9 m -98.13 -176.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -166.24 79.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.779 HD12 HD12 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -74.8 143.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 104' ' ' LYS . 0.6 OUTLIER -141.81 89.68 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.651 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 12.2 p-10 -60.08 80.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 102' ' ' ASN . 12.7 tttm -100.63 80.06 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 5.9 t70 -142.61 178.21 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.792 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.5 OUTLIER -147.22 15.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.1 OUTLIER 13.69 -74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.792 ' N ' ' O ' ' A' ' 106' ' ' ASP . 4.7 m-20 -32.35 -31.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.5 tt0 -113.32 -29.73 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.603 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.6 m-30 -107.85 -168.77 1.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.675 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -80.96 -91.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.7 t-80 -175.38 76.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' A' ' 126' ' ' PHE . . . -159.0 157.22 30.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.702 ' HD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -141.23 176.84 8.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.545 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -95.21 133.18 39.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.779 HD12 HD12 ' A' ' 101' ' ' ILE . 0.7 OUTLIER -116.17 116.66 53.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 100' ' ' GLN . 18.4 mt -102.15 89.46 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.257 HD22 ' CE2' ' A' ' 95' ' ' PHE . 4.5 pp -89.68 163.68 15.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.899 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.6 -175.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.4 t0 59.82 14.47 4.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 49.78 79.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.06 126.95 9.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -102.44 141.19 35.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 125' ' ' ILE . 0.3 OUTLIER -125.23 179.07 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.793 HG22 ' HB ' ' A' ' 53' ' ' VAL . 51.9 mt -139.75 81.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.861 ' CD2' HD22 ' A' ' 50' ' ' LEU . 12.7 m-30 -73.13 157.69 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.604 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -139.23 104.61 5.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.95 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.122 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -105.03 160.3 15.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -132.17 7.42 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.512 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 1.6 m -120.99 110.83 16.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -41.96 -36.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -72.9 -45.69 56.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.681 ' O ' ' N ' ' A' ' 137' ' ' TRP . 35.6 mm-40 -59.15 -43.76 92.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -58.27 -40.1 80.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 4.1 t-20 -77.74 -40.55 40.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.7 OUTLIER -76.23 -18.13 59.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.122 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 35.4 m0 -78.18 -44.43 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.651 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -84.17 -33.93 24.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -65.12 -43.9 90.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.91 91.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.575 HD23 ' HB ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -66.24 -45.93 78.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.532 HG23 ' CE1' ' A' ' 146' ' ' TYR . 14.5 mm -66.3 -17.94 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 146' ' ' TYR . 7.8 t -68.36 -51.97 38.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.904 HD12 ' HB3' ' A' ' 96' ' ' MET . 1.4 mt -71.67 -58.22 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 3.6 tm0? -44.94 -25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.583 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.6 OUTLIER -73.36 -28.22 61.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.3 ttp85 -82.38 7.6 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.52 32.9 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.97 -36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.6 OUTLIER -109.67 -161.72 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.488 ' N ' HD12 ' A' ' 150' ' ' LEU . 7.9 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.453 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 2.2 mmt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.493 0.187 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.8 p-10 -75.23 -59.0 2.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 25' ' ' ILE . 2.0 pt-20 -47.91 -24.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.41 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -73.87 -39.08 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.517 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 56.7 mt-30 -64.55 -11.95 39.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 110.26 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -91.21 8.61 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.649 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 7.6 m-20 -127.89 -27.98 2.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.06 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.5 pp -57.41 -150.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.583 ' N ' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -160.68 -44.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.861 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -131.19 44.41 1.21 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.779 ' HE3' HG21 ' A' ' 29' ' ' ILE . 66.5 t-105 -30.45 127.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.01 -179.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.68 ' O ' ' C ' ' A' ' 35' ' ' LYS . . . -38.73 116.73 0.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.68 ' C ' ' O ' ' A' ' 34' ' ' GLY . 17.3 mmtt -10.44 91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 0.788 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.588 ' OD1' ' CD1' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -114.64 137.41 51.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.468 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -140.55 -48.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.42 33.9 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -95.97 -28.83 14.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 0.753 . . . . 0.0 110.375 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.407 ' O ' ' HA3' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -157.21 29.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.332 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 31.5 p 179.64 110.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 108.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 37' ' ' ILE . 2.7 t-20 -164.13 27.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ILE . 23.5 mt-10 -154.48 67.74 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.354 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' GLU . 4.5 p90 -34.17 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.015 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.585 HG21 HD21 ' A' ' 63' ' ' LEU . 1.1 mm -39.59 -51.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.924 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -139.32 138.76 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 1.2 pm0 -123.57 121.3 35.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -172.65 166.51 39.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.32 119.83 35.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.952 HD13 HG13 ' A' ' 61' ' ' ILE . 3.8 mp -109.52 139.04 45.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -89.8 143.66 26.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 10.8 ttt85 -94.88 99.27 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.869 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.4 t -82.61 75.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.687 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -164.57 24.71 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.49 -25.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 16.7 ttmt 98.54 76.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 6.3 m80 -149.86 150.27 31.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.613 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 19.4 mt-10 -111.76 154.89 24.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.508 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -148.32 114.25 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' CYS . 4.8 t60 -68.6 90.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.952 HG13 HD13 ' A' ' 50' ' ' LEU . 12.6 mm -62.78 148.58 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.452 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -166.74 78.41 0.21 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.924 HD23 ' HG2' ' A' ' 46' ' ' MET . 0.0 OUTLIER -69.29 131.17 44.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.828 ' N ' HD12 ' A' ' 63' ' ' LEU . 12.2 m-85 -107.49 141.65 38.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -46.6 -24.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -85.98 -36.43 10.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 68' ' ' MET . 0.2 OUTLIER -174.19 157.4 2.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 0.737 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.678 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 4.1 tpt -83.42 118.8 23.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.972 HG13 HD23 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -108.7 118.76 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.53 ' HB2' ' HE3' ' A' ' 68' ' ' MET . 3.8 t -103.91 95.37 5.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 108.362 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 60' ' ' HIS . 4.1 m -75.38 123.12 24.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.508 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 13.9 tttt -97.35 128.06 43.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 58' ' ' GLU . 84.1 p -125.19 136.56 53.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -137.22 -61.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -173.23 -178.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.67 154.24 27.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' N ' ' HD3' ' A' ' 78' ' ' PRO . 1.1 pt20 -154.62 63.63 4.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.541 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -75.04 -169.1 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.541 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.1 OUTLIER 87.12 18.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.66 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 17.4 mt -71.45 -43.28 12.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.94 -2.5 12.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.03 -53.39 0.8 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.5 168.43 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.518 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.4 OUTLIER 72.67 -177.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.021 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 84' ' ' SER . 4.5 p30 153.89 91.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.066 . . . . 0.0 109.398 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.06 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 176.68 45.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 86' ' ' ALA . 32.8 mt-10 -29.31 -46.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.649 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 1.6 m-30 -92.2 -138.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.529 ' HA ' ' HB2' ' A' ' 30' ' ' ASP . 16.1 mtt85 -156.45 166.57 33.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 110.229 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.986 HD22 ' N ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -123.01 149.33 44.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.986 ' N ' HD22 ' A' ' 90' ' ' LEU . 2.7 mttt -130.16 108.03 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.38 118.43 5.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.641 1.213 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.627 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -143.19 86.39 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.17 79.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.721 ' CG ' HG11 ' A' ' 99' ' ' VAL . 4.9 m-30 -76.28 -43.19 42.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.517 ' N ' HD13 ' A' ' 144' ' ' LEU . 12.0 tmm? -41.55 -23.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -82.46 -53.51 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -178.66 143.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.868 HG22 ' HB2' ' A' ' 145' ' ' GLN . 10.4 m -142.94 -178.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -157.76 77.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -77.43 116.89 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.418 ' N ' HD13 ' A' ' 101' ' ' ILE . 4.8 t30 -119.8 100.73 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.641 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 22.2 p-10 -72.3 78.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.42 ' CB ' ' HG2' ' A' ' 115' ' ' GLU . 3.0 tptm -90.85 79.74 5.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 7.4 t0 -148.92 170.91 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.784 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -143.71 14.84 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.3 OUTLIER 15.69 -76.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.612 1.195 . . . . 0.0 110.446 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.784 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.9 m-20 -31.95 -32.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.7 tt0 -112.8 -30.26 7.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.546 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.9 m-30 -106.53 -163.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -86.08 -93.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.241 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.507 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -173.7 79.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.611 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.928 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -164.26 153.47 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.677 ' CD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -140.09 174.54 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.624 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -101.02 117.88 35.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.74 HD12 HG12 ' A' ' 101' ' ' ILE . 3.7 mm -103.75 127.51 57.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 100' ' ' GLN . 62.3 mt -112.67 102.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.583 HD13 ' HG2' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -101.0 179.34 4.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.21 -173.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 51.48 20.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER 41.5 69.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -132.85 133.29 43.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.9 OUTLIER -105.38 144.23 32.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.463 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.2 t -129.79 174.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.747 HG21 ' O ' ' A' ' 53' ' ' VAL . 2.9 mt -135.69 78.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.718 ' CD2' HD22 ' A' ' 50' ' ' LEU . 15.3 m-30 -77.0 155.0 32.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.928 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 18.4 m -137.3 114.21 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.205 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.7 148.97 32.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -115.08 -8.05 12.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.477 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 1.2 t -106.13 111.64 24.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.42 -36.74 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -69.66 -41.77 75.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.704 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 88.6 mt-10 -62.6 -40.12 95.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.236 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -60.56 -35.34 75.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.527 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 1.1 t30 -84.41 -39.25 19.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.7 OUTLIER -75.91 -22.06 56.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.205 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 38.3 m0 -74.05 -48.36 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -76.75 -50.81 12.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -49.61 -44.57 47.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.69 99.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -67.22 -44.87 78.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.455 HG12 ' CG2' ' A' ' 101' ' ' ILE . 15.4 mm -69.52 -17.66 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -44.74 74.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.874 HD11 HD13 ' A' ' 63' ' ' LEU . 11.6 mt -69.32 -63.73 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.868 ' HB2' HG22 ' A' ' 99' ' ' VAL . 2.6 tt0 -42.35 -26.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.828 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.4 OUTLIER -73.66 -37.59 65.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -80.8 50.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.09 29.66 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -177.01 -37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.1 pp -83.03 -158.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.693 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 ttm . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.473 0.178 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -64.59 -49.04 72.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -77.48 -0.58 26.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.758 ' O ' HG23 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -111.09 -29.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 22' ' ' MET . 2.2 mm-40 -63.31 -64.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.01 52.36 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.624 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 2.8 m-20 -157.82 -39.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.093 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.7 pp -51.2 -167.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HB2' ' HA ' ' A' ' 89' ' ' ARG . 1.0 OUTLIER -152.48 -64.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.864 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -112.45 36.1 4.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.1 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.751 ' C ' ' O ' ' A' ' 31' ' ' GLY . 52.5 t-105 -4.65 -77.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLY . 12.7 tp10 69.82 162.16 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.369 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' N ' ' HG3' ' A' ' 33' ' ' GLU . . . 107.76 -2.08 34.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 43.93 26.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER 162.33 -168.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.917 HD12 ' O ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -75.01 65.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.33 14.57 79.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.617 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 37.7 mt-30 66.83 49.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.617 ' CB ' ' O ' ' A' ' 39' ' ' GLN . 5.2 t 98.13 24.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 108.338 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.917 ' O ' HD12 ' A' ' 37' ' ' ILE . 4.1 m -131.48 -145.1 0.26 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.506 1.129 . . . . 0.0 108.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 1.0 OUTLIER 70.52 31.04 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -64.11 -7.57 9.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER 59.05 88.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.748 HG22 ' HG3' ' A' ' 46' ' ' MET . 8.2 mm -69.64 -74.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.748 ' HG3' HG22 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -137.64 131.23 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 12.7 pt-20 -110.5 120.39 42.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -158.11 160.27 30.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.544 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -113.27 118.47 34.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.414 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.931 HD13 HG13 ' A' ' 61' ' ' ILE . 4.6 mp -114.17 143.65 44.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.542 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.9 OUTLIER -98.07 141.16 31.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.9 ttt-85 -93.5 99.02 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.879 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.4 t -84.6 76.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.702 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -161.64 24.0 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.586 1.179 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.2 -22.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.645 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 18.2 ttmt 99.35 78.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 23.0 m80 -150.25 148.74 29.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 109.558 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 73' ' ' SER . 1.2 pt-20 -129.3 158.14 39.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 ptp85 -163.68 136.03 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.544 ' CG ' ' HB ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -79.06 93.9 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.931 HG13 HD13 ' A' ' 50' ' ' LEU . 15.8 mm -59.73 157.21 2.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CG ' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -170.45 83.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.088 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -73.23 132.33 43.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.74 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 10.2 m-30 -102.86 158.66 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.468 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 12.1 t0 -63.03 -13.32 34.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.06 -38.03 3.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.803 ' C ' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -176.14 141.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.852 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 1.2 tmt? -66.71 133.03 49.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.74 HD12 ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -140.71 153.28 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.234 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.772 ' CB ' HD13 ' A' ' 61' ' ' ILE . 3.5 p -138.84 166.06 25.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.521 ' SG ' ' CB ' ' A' ' 60' ' ' HIS . 7.9 p -120.61 108.66 14.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 108.285 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -61.41 123.71 18.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.62 ' OG ' ' CE1' ' A' ' 88' ' ' TYR . 12.9 t -126.04 129.94 50.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -120.83 -66.53 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.78 -154.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.558 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.42 86.62 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.501 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -39.54 -51.87 4.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.436 0.727 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -75.1 172.38 16.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.421 1.748 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.56 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 1.4 ppt_? 152.24 -15.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.614 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 30.0 mt -51.88 -46.27 92.36 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.99 0.74 8.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 81' ' ' PRO . . . 37.82 93.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.37 -12.24 28.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.548 ' O ' ' C ' ' A' ' 85' ' ' ASN . 0.4 OUTLIER 175.6 33.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.572 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER 27.86 74.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.093 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 171.87 51.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 86' ' ' ALA . 21.0 mt-10 -33.21 -44.83 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.624 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 13.8 m-30 -89.64 -161.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -148.91 123.23 9.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.974 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.76 155.3 16.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.83 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -138.82 147.04 42.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.73 137.77 36.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.1 mttp -150.92 88.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -59.25 82.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.893 ' CE1' HD22 ' A' ' 118' ' ' LEU . 6.3 m-30 -96.8 -45.47 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.485 ' N ' HD13 ' A' ' 144' ' ' LEU . 12.3 tmm? -41.07 -23.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -84.26 -50.86 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.248 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -175.37 148.4 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.831 HG22 ' HB3' ' A' ' 145' ' ' GLN . 19.6 m -150.21 -177.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 117' ' ' ILE . 2.2 tm0? -167.95 98.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 1.085 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -93.46 137.02 23.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 104' ' ' LYS . 28.7 t30 -127.15 78.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.634 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 1.1 p-10 -59.5 82.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -90.32 77.07 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -170.51 156.52 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.74 25.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.528 ' C ' ' N ' ' A' ' 109' ' ' GLU . 68.0 p 40.33 -143.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 109' ' ' GLU . 5.1 m-20 42.63 21.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.528 ' N ' ' C ' ' A' ' 107' ' ' THR . 1.5 tt0 179.34 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -111.97 -177.55 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -86.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.51 78.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.598 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 126' ' ' PHE . . . -156.71 155.32 31.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.684 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -145.55 162.08 38.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.472 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -91.43 131.75 36.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.254 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 1.085 HD12 HD12 ' A' ' 101' ' ' ILE . 2.8 mm -115.14 166.19 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 100' ' ' GLN . 22.3 mt -154.46 137.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.893 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -126.5 138.76 53.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.452 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -41.55 -28.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 4.3 t0 -48.58 -20.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 8.4 tt0 88.44 44.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.24 157.03 43.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.43 167.34 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.943 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.5 t -147.08 175.85 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.768 HG21 ' O ' ' A' ' 53' ' ' VAL . 23.3 mt -137.59 77.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.727 ' CD2' HD22 ' A' ' 50' ' ' LEU . 5.8 m-30 -68.52 165.97 17.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.549 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 32.5 m -147.4 102.11 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.054 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.1 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -103.95 153.74 20.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -117.26 -9.99 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.499 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -108.71 118.94 38.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.85 -33.42 16.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -36.22 69.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.723 ' O ' ' N ' ' A' ' 137' ' ' TRP . 4.8 mm-40 -66.11 -44.19 85.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.225 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -57.42 -44.37 84.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.1 m-20 -72.87 -41.71 64.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -76.98 -15.65 59.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.1 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 34.3 m0 -82.03 -43.66 17.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.3 OUTLIER -83.56 -36.88 23.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.78 -46.05 89.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.522 ' HB2' ' SD ' ' A' ' 46' ' ' MET . . . -56.69 -46.46 81.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -62.35 -49.36 75.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.442 HG12 ' CG2' ' A' ' 101' ' ' ILE . 6.1 mm -67.0 -14.98 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.74 -40.84 72.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 110.026 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.088 HD11 ' CD1' ' A' ' 63' ' ' LEU . 22.2 mt -71.08 -64.92 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.831 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -46.42 -23.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.688 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.3 OUTLIER -70.48 -30.72 67.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.1 mtm180 -89.12 39.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.43 25.2 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -169.22 -40.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.8 pp -83.31 -2.7 56.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.8 ttm . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.453 0.168 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.425 ' ND2' ' H ' ' A' ' 24' ' ' GLU . 1.5 p-10 -75.51 -56.66 4.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 14.4 pt-20 -61.86 -14.97 38.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.675 HD11 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -91.54 -38.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -36.62 31.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -95.85 25.98 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.471 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -147.93 16.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.719 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.1 pp -108.77 -141.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.491 ' H ' ' HB ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -161.98 -77.63 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -102.29 15.51 56.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 49.2 t-105 28.55 -99.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.586 ' HG2' ' CD1' ' A' ' 32' ' ' TRP . 8.8 pt-20 175.32 -165.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.17 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' LYS . . . -41.12 164.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.9 mmtm -37.89 -62.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.793 . . . . 0.0 109.358 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' C ' HG12 ' A' ' 37' ' ' ILE . 26.2 p30 -135.74 151.21 49.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.425 HG22 ' HB2' ' A' ' 42' ' ' ASN . 35.0 mm -148.79 -44.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.07 -17.23 2.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.077 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 40' ' ' CYS . 2.4 pt20 -80.9 -29.25 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.327 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -98.36 -30.92 12.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.283 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER 168.11 -173.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 108.274 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 1.5 t30 76.43 35.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 109.38 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 20.3 tt0 -63.85 -72.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.446 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER 165.91 121.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.499 HG12 ' N ' ' A' ' 65' ' ' ASP . 1.5 mm -90.17 -67.07 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.489 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -144.66 141.87 29.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -110.34 138.1 47.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.71 164.35 37.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.578 1.174 . . . . 0.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.552 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -114.96 115.33 26.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 110.407 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.845 HD13 ' CG1' ' A' ' 61' ' ' ILE . 5.0 mp -113.32 140.22 48.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -101.37 144.94 29.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.467 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.524 ' CG ' ' HB2' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -94.5 108.08 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.836 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -87.78 71.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.588 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -155.22 20.64 0.56 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.621 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 170.39 -24.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.621 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 9.7 tttm 98.81 74.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.524 ' HB2' ' CG ' ' A' ' 52' ' ' ARG . 51.9 m80 -149.38 158.53 44.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.573 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' A' ' 73' ' ' SER . 4.8 pt-20 -125.76 164.12 21.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 71' ' ' CYS . 1.2 ptp180 -164.43 141.61 6.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.559 ' HE2' ' HE2' ' A' ' 62' ' ' PHE . 80.9 t60 -87.94 96.3 10.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.845 ' CG1' HD13 ' A' ' 50' ' ' LEU . 26.5 mm -66.74 156.72 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.675 ' CD2' HD11 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -166.89 91.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.821 HD11 ' CD1' ' A' ' 144' ' ' LEU . 4.4 tp -80.49 130.1 34.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.701 ' CE2' HG21 ' A' ' 69' ' ' ILE . 11.2 m-30 -105.0 155.12 19.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.499 ' N ' HG12 ' A' ' 45' ' ' ILE . 3.5 m-20 -69.47 1.83 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -114.93 -34.79 1.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.885 HD22 ' CE1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -176.9 139.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 0.719 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.539 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -71.78 140.65 49.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.806 HG13 HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -144.23 154.97 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 91' ' ' LYS . 26.7 p -144.17 141.09 29.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 108.287 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -104.7 127.15 52.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 59' ' ' ARG . 13.6 tttt -78.03 116.82 18.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.559 ' HA ' ' CD1' ' A' ' 88' ' ' TYR . 34.0 m -116.57 108.04 15.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -123.39 69.84 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.7 -178.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.644 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.39 -72.45 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -70.88 -53.53 8.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.488 0.758 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.4 Cg_endo -74.9 165.41 31.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.613 HH21 HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER 156.85 -16.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.326 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.613 HD23 HH21 ' A' ' 79' ' ' ARG . 25.2 mt -52.42 -45.66 95.14 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.05 1.86 7.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.77 -101.04 0.72 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 0.0 110.941 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 61.39 85.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.581 ' O ' ' C ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -176.86 90.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.775 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 58.7 m-80 -25.78 121.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 85' ' ' ASN . . . 93.76 44.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . 8.4 mt-10 -38.61 -44.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.35 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 12.6 m-85 -83.38 -168.36 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 1.9 ttp85 -135.46 116.33 14.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -68.64 142.43 55.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.619 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -119.49 155.81 31.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.446 ' HG2' ' CE2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -97.16 120.05 36.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.632 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -125.61 74.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.885 ' CE1' HD22 ' A' ' 67' ' ' LEU . 45.2 m-85 -69.42 72.9 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.057 ' CD2' HD22 ' A' ' 118' ' ' LEU . 3.2 m-85 -135.48 -2.18 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.472 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -54.53 -17.26 3.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tpt85 -89.33 -13.72 37.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -176.18 130.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.685 HG22 ' HB3' ' A' ' 145' ' ' GLN . 3.2 m -146.35 -178.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.402 ' O ' ' HB ' ' A' ' 117' ' ' ILE . 6.7 mt-30 -162.08 91.46 0.8 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.073 . . . . 0.0 110.329 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.908 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -83.93 137.49 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 104' ' ' LYS . 17.6 t-20 -128.96 81.48 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.607 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 8.8 p-10 -65.18 78.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -96.37 82.08 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 10.8 t0 -144.18 172.17 13.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.783 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.3 OUTLIER -149.61 19.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.6 OUTLIER 12.51 -74.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.783 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.0 m-20 -32.36 -31.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.634 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.2 tt0 -112.57 -29.86 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.582 ' O ' ' O ' ' A' ' 107' ' ' THR . 15.3 m-30 -109.35 -166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 107' ' ' THR . 2.5 tptt -80.71 -93.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.532 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 1.1 t-80 -175.17 75.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.612 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.969 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -159.71 159.55 33.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.381 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.607 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -142.87 168.23 20.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.34 126.47 45.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.908 HD12 HD12 ' A' ' 101' ' ' ILE . 2.4 mm -102.5 166.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 36.2 mt -155.3 109.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.057 HD22 ' CD2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -85.95 146.85 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -47.1 -30.85 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.667 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 4.1 t0 -54.25 -15.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 12.4 tt0 91.16 22.05 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.867 ' HB3' HD12 ' A' ' 118' ' ' LEU . 5.2 t30 -104.3 -178.93 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 1.0 OUTLIER -146.69 161.9 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 125' ' ' ILE . 0.8 OUTLIER -147.47 175.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.571 HG22 ' HB ' ' A' ' 53' ' ' VAL . 3.1 mt -135.91 80.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.617 ' CD2' HG13 ' A' ' 116' ' ' ILE . 3.1 m-85 -76.53 159.74 30.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.969 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -143.2 112.42 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 110.06 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.65 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.71 175.27 5.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -128.93 -24.87 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.508 ' CB ' ' HG2' ' A' ' 133' ' ' GLU . 0.3 OUTLIER -108.22 125.95 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.95 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 134' ' ' LYS . . . -49.88 -23.39 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -76.84 -42.57 39.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.706 ' O ' ' N ' ' A' ' 137' ' ' TRP . 20.2 mm-40 -57.87 -53.87 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -53.29 -44.62 68.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 2.9 t-20 -67.07 -42.47 84.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.5 t30 -77.36 -17.9 57.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.785 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 39.7 m0 -78.83 -41.16 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.548 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -87.58 -36.2 17.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -63.62 -46.56 85.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.489 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -57.08 -45.28 83.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.404 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.09 -41.28 74.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 146' ' ' TYR . 6.4 mm -68.05 -21.06 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 139' ' ' ALA . 29.1 t -70.62 -41.62 72.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.821 ' CD1' HD11 ' A' ' 63' ' ' LEU . 16.7 mt -73.1 -63.69 1.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.685 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -47.23 -21.98 0.34 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.574 ' CE1' HG23 ' A' ' 142' ' ' ILE . 0.5 OUTLIER -70.53 -29.66 66.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -83.99 7.29 18.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.43 ' CB ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -100.87 31.23 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.938 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.92 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 151' ' ' GLU . 0.8 OUTLIER -106.32 -160.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.682 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.687 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.543 0.211 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.487 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 8.5 p-10 -58.91 -45.53 90.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 4.6 pt-20 -81.39 3.3 24.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.611 HD11 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -118.51 -26.26 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.687 ' N ' ' O ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -68.39 -6.1 22.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.641 ' CE ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -106.82 28.57 7.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.515 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m-20 -166.02 27.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.974 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.5 pp -111.36 -156.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -155.33 -76.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.702 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.48 38.45 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.702 ' C ' ' O ' ' A' ' 31' ' ' GLY . 76.2 t-105 -14.45 -65.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' GLY . 2.5 mm-40 67.7 -173.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.78 99.21 0.06 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.631 ' CE ' HD21 ' A' ' 67' ' ' LEU . 14.2 mmtm -137.69 -46.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.2 m-20 78.03 173.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 37' ' ' ILE . 3.7 mp -92.58 62.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.418 ' HA2' ' N ' ' A' ' 42' ' ' ASN . . . 48.41 22.58 2.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -91.5 -31.82 15.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 0.765 . . . . 0.0 110.248 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -98.6 -33.51 10.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 108.27 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER 159.57 84.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.418 ' N ' ' HA2' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -171.63 32.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.74 110.05 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 64' ' ' PHE . 3.3 m-85 -42.32 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.749 ' CD1' HD21 ' A' ' 144' ' ' LEU . 4.2 mt -62.46 -52.0 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.263 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.649 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -148.95 132.57 16.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.633 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -113.89 130.83 56.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -171.24 171.03 43.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.691 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -119.27 118.44 31.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.449 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 HG13 ' A' ' 61' ' ' ILE . 5.2 mp -111.29 136.52 50.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -95.08 134.59 37.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.451 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.1 OUTLIER -87.96 100.8 13.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.5 t -81.52 72.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -150.18 6.0 0.68 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.78 35.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.463 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER 48.36 80.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.543 ' CD2' ' HB2' ' A' ' 74' ' ' ASN . 5.7 m80 -148.86 142.63 25.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.561 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' C ' ' CG ' ' A' ' 59' ' ' ARG . 31.9 tt0 -122.95 159.48 28.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.356 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.468 ' CG ' ' C ' ' A' ' 58' ' ' GLU . 10.6 mtt180 -158.47 140.55 13.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.691 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.8 OUTLIER -83.96 97.05 9.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.572 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.899 HG13 HD13 ' A' ' 50' ' ' LEU . 43.9 mm -71.72 147.49 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CE1' ' CB ' ' A' ' 47' ' ' GLU . 2.7 m-85 -162.7 82.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.884 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -71.4 135.23 47.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.798 ' N ' HD12 ' A' ' 63' ' ' LEU . 16.2 m-85 -108.84 157.98 18.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.476 ' CA ' HG13 ' A' ' 45' ' ' ILE . 9.1 t70 -60.3 -16.41 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.31 -37.37 4.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.492 1.12 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 68' ' ' MET . 0.8 OUTLIER -176.2 147.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.884 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 1.2 tmt? -71.1 139.48 50.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.769 ' CG1' HD23 ' A' ' 90' ' ' LEU . 1.2 tp -118.36 164.34 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.517 ' SG ' ' CD1' ' A' ' 61' ' ' ILE . 5.6 t -164.08 113.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 22.6 p -101.7 112.17 24.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.293 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -60.74 133.88 56.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.542 ' HB2' ' CG ' ' A' ' 88' ' ' TYR . 2.8 t -130.25 104.94 7.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.543 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 14.8 t30 -133.4 -70.23 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.68 156.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.589 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.62 82.82 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.555 1.16 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.626 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 35.7 tt0 -71.89 -43.42 10.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.534 0.785 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -75.01 -166.11 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.802 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 65.82 19.57 11.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 13.1 mt -57.68 -44.32 99.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.1 Cg_endo -75.06 -1.13 10.84 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.75 71.41 0.44 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.79 128.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.546 0.792 . . . . 0.0 109.236 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.47 59.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 59.47 94.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.974 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -177.86 49.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 86' ' ' ALA . 33.6 mt-10 -26.96 -50.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.542 ' CG ' ' HB2' ' A' ' 73' ' ' SER . 2.8 m-30 -95.22 144.01 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 2.0 ttt85 -96.88 112.58 24.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.074 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.27 140.57 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.74 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -127.42 136.36 51.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 93' ' ' LYS . 20.6 tt0 -72.13 142.4 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.602 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -152.47 81.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CE2' ' OE2' ' A' ' 92' ' ' GLU . 1.4 m-85 -58.26 89.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CE2' HD11 ' A' ' 141' ' ' LEU . 5.7 m-30 -100.72 -48.6 4.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.707 ' N ' HD13 ' A' ' 144' ' ' LEU . 1.3 tmt? -40.04 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' PHE . 1.7 tpt180 -80.02 -51.1 9.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.115 . . . . 0.0 110.247 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' C ' HG13 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -176.21 148.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 145' ' ' GLN . 13.2 m -154.61 -178.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.3 OUTLIER -167.9 99.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.555 HD13 ' HA ' ' A' ' 138' ' ' MET . 0.1 OUTLIER -88.83 141.34 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.486 ' N ' HG13 ' A' ' 101' ' ' ILE . 3.8 t-20 -133.42 79.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.589 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 4.3 p-10 -65.04 79.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 102' ' ' ASN . 1.1 mtmt -98.33 79.32 2.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.585 ' OD2' HG23 ' A' ' 107' ' ' THR . 9.9 t0 -135.77 166.43 23.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.73 ' O ' ' N ' ' A' ' 108' ' ' ASN . 27.3 m-20 -134.84 8.4 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.606 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.7 OUTLIER 19.42 -79.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.452 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.73 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.3 t30 -33.17 -32.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.9 tt0 -112.71 -27.43 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CZ ' ' OD2' ' A' ' 106' ' ' ASP . 13.4 m-30 -105.81 -167.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.512 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -84.73 -90.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.512 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.2 OUTLIER -175.83 78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.584 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -162.72 163.06 27.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.38 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.654 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -153.0 165.92 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.3 OUTLIER -93.81 133.7 36.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.579 HD11 ' HB2' ' A' ' 126' ' ' PHE . 4.9 mp -123.88 136.47 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' GLN . 55.4 mt -116.85 127.34 74.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -111.95 139.59 47.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 121' ' ' GLU . 24.8 tptt -41.63 -32.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.6 m-20 -46.03 -21.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.518 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 0.6 OUTLIER 88.25 39.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.248 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.9 157.68 44.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 2.4 p -114.72 160.46 19.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.525 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.4 t -139.74 176.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.54 HG21 ' O ' ' A' ' 53' ' ' VAL . 4.3 mp -139.34 78.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.61 ' CD2' HD22 ' A' ' 50' ' ' LEU . 3.5 m-85 -74.31 165.62 24.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.666 ' OG ' HG23 ' A' ' 53' ' ' VAL . 39.3 m -144.35 104.11 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.025 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -102.42 147.21 27.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -111.96 -9.47 14.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.5 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -109.51 116.35 31.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 0.0 110.052 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.23 -32.93 4.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -72.71 -41.95 64.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.72 ' O ' ' N ' ' A' ' 137' ' ' TRP . 7.0 mm-40 -59.7 -44.98 93.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.5 OUTLIER -57.44 -44.29 84.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.544 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 0.2 OUTLIER -71.63 -41.31 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.6 OUTLIER -77.42 -16.99 58.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.025 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 36.2 m0 -79.72 -40.25 29.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -89.29 -34.35 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -63.1 -47.95 80.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.36 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.478 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -56.99 -44.28 82.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.706 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -64.21 -49.1 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.622 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 19.2 mm -67.64 -15.51 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 139' ' ' ALA . 3.9 t -70.67 -43.45 69.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.749 HD21 ' CD1' ' A' ' 45' ' ' ILE . 67.8 mt -72.02 -63.73 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.392 1.057 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.774 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -46.01 -23.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.622 ' CE1' ' CG2' ' A' ' 142' ' ' ILE . 0.7 OUTLIER -71.92 -28.77 63.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.1 mtt180 -82.62 8.75 11.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.34 44.6 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 110.006 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 174.27 -34.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp -106.04 -2.33 22.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.424 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.53 0.205 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -81.01 -52.12 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.54 -18.94 64.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.64 HG13 ' CE2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -88.5 -38.21 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 22' ' ' MET . 3.2 mm100 -57.84 -17.03 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.242 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.456 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -94.93 21.67 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.6 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -146.37 18.52 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.804 HG22 ' HB2' ' A' ' 90' ' ' LEU . 1.7 pp -115.41 164.58 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.483 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -106.22 -79.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -102.21 5.02 52.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 31.3 t-105 31.64 40.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.683 ' OE1' HD11 ' A' ' 90' ' ' LEU . 1.1 pt-20 -44.69 167.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.21 -132.28 6.46 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.413 1.071 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -120.21 -42.69 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -168.48 -160.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.595 HG22 ' N ' ' A' ' 38' ' ' GLY . 3.0 mp -77.1 -114.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.595 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -130.06 23.8 4.6 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.528 1.143 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -32.4 15.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.491 0.76 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 31.6 p -96.13 -38.89 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 108.306 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.553 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 3.6 p 155.94 107.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.415 1.072 . . . . 0.0 108.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 3.4 m-20 155.96 35.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -66.92 -101.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 27.1 p90 -172.23 88.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.88 HD12 HD21 ' A' ' 144' ' ' LEU . 1.7 mt -52.07 -55.59 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.971 ' SD ' HD23 ' A' ' 63' ' ' LEU . 14.8 ptm -123.76 130.03 51.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.78 114.18 26.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.94 160.57 33.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.13 124.82 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.888 HD13 ' CG1' ' A' ' 61' ' ' ILE . 4.5 mp -113.07 143.69 43.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.9 OUTLIER -95.92 142.66 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.426 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -94.43 102.37 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.879 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.6 t -88.01 75.52 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.696 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -161.51 24.97 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.429 1.081 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 163.34 -24.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.635 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 99.15 81.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.586 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 75.7 m80 -162.51 149.75 13.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.574 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 73' ' ' SER . 2.0 mp0 -113.81 169.15 9.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.598 ' HG3' HD11 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -163.09 126.91 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.57 104.71 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.595 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.888 ' CG1' HD13 ' A' ' 50' ' ' LEU . 18.9 mm -77.58 134.23 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.64 ' CE2' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -149.2 82.36 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.135 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -71.55 130.83 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.374 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.812 ' CE2' HG21 ' A' ' 69' ' ' ILE . 10.4 m-30 -107.71 152.4 24.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.3 t0 -61.02 -12.77 12.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' C ' ' SD ' ' A' ' 96' ' ' MET . . . -97.05 -34.11 5.78 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.675 HD12 ' N ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -174.51 158.42 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.675 ' N ' HD12 ' A' ' 67' ' ' LEU . 17.8 mtp -85.07 119.7 25.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.984 HD12 ' N ' ' A' ' 70' ' ' CYS . 0.2 OUTLIER -110.8 146.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.984 ' N ' HD12 ' A' ' 69' ' ' ILE . 15.6 m -142.5 92.76 2.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 108.347 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.0 p -79.92 130.21 35.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 108.291 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 88' ' ' TYR . 31.3 tttt -82.77 164.61 20.51 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.658 ' HA ' ' CG ' ' A' ' 88' ' ' TYR . 16.1 p -177.81 140.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -137.87 -49.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -76.86 -83.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.533 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.07 8.78 11.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.538 1.148 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' N ' ' HD3' ' A' ' 78' ' ' PRO . 1.1 tt0 -152.44 63.29 4.94 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.3 Cg_endo -75.01 175.7 10.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 157.05 -15.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.269 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -63.48 -52.04 62.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.0 1.56 7.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.544 1.813 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.08 117.52 2.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.22 96.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 0.774 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 85' ' ' ASN . 91.0 p -131.31 6.26 4.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 84' ' ' SER . 0.8 OUTLIER 35.14 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.095 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . -154.72 39.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.546 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 19.4 mt-10 37.12 -59.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 1.095 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -147.39 -73.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 175.43 152.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.979 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -85.01 133.93 34.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.596 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -116.53 91.75 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.589 ' CD ' HD21 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -57.84 135.43 56.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.628 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 24.7 mttt -135.99 76.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 37.9 p90 -69.74 76.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.097 ' CE2' HD13 ' A' ' 118' ' ' LEU . 10.8 m-85 -129.98 -4.69 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.935 ' HB2' HD13 ' A' ' 144' ' ' LEU . 2.5 ptt? -47.23 -34.47 6.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.506 ' N ' ' HG3' ' A' ' 96' ' ' MET . 0.0 OUTLIER -64.22 -16.57 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -174.97 116.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.834 HG22 ' HB3' ' A' ' 145' ' ' GLN . 8.4 m -137.89 -178.07 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -168.96 115.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.758 HD12 HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -100.5 135.85 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.6 m120 -126.56 80.39 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.184 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.587 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 16.9 p-10 -61.68 80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' ASN . 9.1 tttp -98.99 79.76 2.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.408 ' OD2' HG23 ' A' ' 107' ' ' THR . 13.6 t0 -137.0 170.72 15.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.772 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -144.25 15.27 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.4 OUTLIER 13.64 -75.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.423 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.772 ' N ' ' O ' ' A' ' 106' ' ' ASP . 13.2 t30 -31.47 -32.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.645 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.0 OUTLIER -113.47 -31.2 6.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.585 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.0 m-30 -104.52 -170.02 1.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -84.26 -89.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -173.78 78.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.605 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.8 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -157.78 160.34 37.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.587 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -148.41 166.36 28.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 15.7 pt-20 -94.94 130.01 41.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.758 HD12 HD12 ' A' ' 101' ' ' ILE . 2.7 mm -104.32 167.98 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' GLN . 58.5 mt -151.73 101.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.097 HD13 ' CE2' ' A' ' 95' ' ' PHE . 2.3 pp -109.03 163.16 13.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -46.59 176.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 69.61 6.14 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 57.09 75.53 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.51 138.12 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -114.24 150.47 34.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.927 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.455 HG12 ' H ' ' A' ' 125' ' ' ILE . 0.9 OUTLIER -127.99 174.71 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.798 HG21 ' O ' ' A' ' 53' ' ' VAL . 3.2 mt -134.68 79.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.623 ' CD2' HG13 ' A' ' 116' ' ' ILE . 3.0 m-85 -76.48 158.71 31.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.8 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 18.1 m -139.47 104.48 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.071 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.144 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -105.31 141.51 36.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 0.0 109.384 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 -8.43 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 m -106.27 113.7 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.949 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -46.57 -34.34 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.15 -43.34 67.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.741 ' O ' ' N ' ' A' ' 137' ' ' TRP . 21.0 mt-10 -60.45 -42.73 96.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.565 ' O ' ' HG2' ' A' ' 138' ' ' MET . 5.4 ttpt -56.71 -42.92 80.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 32.6 t30 -76.28 -40.55 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.2 m-20 -77.15 -15.84 59.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.144 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 34.1 m0 -80.82 -44.05 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -83.53 -37.58 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.501 ' CA ' ' HE2' ' A' ' 138' ' ' MET . . . -62.62 -46.48 88.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.46 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -59.03 -42.22 89.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -65.46 -47.72 75.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.496 HG22 ' CE2' ' A' ' 146' ' ' TYR . 24.8 mm -68.46 -17.24 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.0 t -69.21 -43.95 73.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.924 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.135 HD11 ' CD1' ' A' ' 63' ' ' LEU . 68.3 mt -69.13 -59.77 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.834 ' HB3' HG22 ' A' ' 99' ' ' VAL . 2.7 pp0? -46.98 -23.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.654 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -76.52 -34.84 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -81.94 47.8 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.12 27.12 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -171.07 -39.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.6 OUTLIER -89.45 -160.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.415 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.513 0.197 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -72.87 -55.63 6.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.224 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -18.71 16.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.838 HD11 ' CE2' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -84.67 -32.63 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 33.9 mt-30 -64.12 -15.24 59.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.49 44.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.576 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 1.3 t-20 -168.87 -31.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.046 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.4 pp -58.54 -145.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 12.2 t70 -158.4 -52.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.71 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -133.68 29.32 3.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.416 1.073 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.71 ' C ' ' O ' ' A' ' 31' ' ' GLY . 9.9 t-105 -12.2 85.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.633 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 31.33 -154.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -128.72 113.81 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 36' ' ' ASP . 6.3 mmtt 42.75 90.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.414 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 35' ' ' LYS . 1.3 m-20 47.39 -173.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.328 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.446 HD12 ' OD1' ' A' ' 42' ' ' ASN . 77.4 mt -126.08 -66.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.68 -19.97 28.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' A' ' 40' ' ' CYS . 23.5 mt-30 75.07 29.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.274 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER 174.83 -31.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 108.302 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.8 m -87.81 -102.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 108.321 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.446 ' OD1' HD12 ' A' ' 37' ' ' ILE . 17.8 t30 50.09 22.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 45' ' ' ILE . 3.2 mm-40 -85.29 101.24 12.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 31.7 p90 -37.94 98.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 65' ' ' ASP . 32.8 mt -50.03 -59.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.522 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -138.23 129.98 28.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -107.62 129.76 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.09 163.37 37.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.741 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -116.29 117.92 31.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.955 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.4 OUTLIER -119.17 152.72 36.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.22 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.573 ' CG2' ' HB2' ' A' ' 127' ' ' SER . 0.6 OUTLIER -100.57 128.21 46.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.425 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' HIS . 13.2 ttt180 -80.26 90.59 5.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.82 HG12 HG21 ' A' ' 125' ' ' ILE . 1.2 t -64.37 176.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.688 ' N ' HG13 ' A' ' 53' ' ' VAL . . . 81.35 -5.61 67.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -147.17 -36.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.5 OUTLIER 88.7 68.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 52' ' ' ARG . 53.9 m-70 -149.02 149.11 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.619 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -98.48 163.32 12.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.631 ' HD2' HD11 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -162.59 117.45 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.554 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.2 OUTLIER -68.21 87.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.955 ' CG1' HD13 ' A' ' 50' ' ' LEU . 29.5 mm -57.48 145.49 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.838 ' CE2' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -164.54 80.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.79 HD21 ' CD1' ' A' ' 144' ' ' LEU . 5.7 tp -70.32 115.61 9.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 18.7 m-30 -92.36 145.4 24.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.604 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -55.09 -14.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.657 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -94.02 -45.05 3.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.047 HD13 ' CD1' ' A' ' 94' ' ' PHE . 83.2 mt -161.0 146.41 14.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.532 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.7 100.28 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.088 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.044 HD12 HD21 ' A' ' 90' ' ' LEU . 2.0 mm -93.96 147.69 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.578 ' CB ' HD13 ' A' ' 61' ' ' ILE . 1.6 p -149.49 106.39 3.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.543 ' O ' ' CA ' ' A' ' 59' ' ' ARG . 6.4 m -75.75 127.4 32.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 108.323 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.539 ' CG ' ' NH1' ' A' ' 59' ' ' ARG . 4.1 mtpm? -96.36 118.16 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 m -117.65 130.36 56.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -124.42 -41.09 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 176.54 134.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 109.648 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -93.35 59.9 2.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.392 1.058 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -80.08 -53.35 0.95 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 0.754 . . . . 0.0 110.35 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.1 Cg_endo -75.05 -172.69 1.33 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.467 ' NH1' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER 79.57 9.92 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 4.2 mt -55.49 -44.41 99.63 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.01 -1.21 10.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.442 ' HA2' ' CZ ' ' A' ' 79' ' ' ARG . . . 56.32 98.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.568 1.167 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -163.63 123.76 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER 87.52 -14.85 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.177 . . . . 0.0 110.016 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 84' ' ' SER . 71.7 m-80 32.6 88.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.046 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -173.2 50.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 86' ' ' ALA . 13.9 mt-10 -27.66 -53.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.576 ' CG ' ' OD1' ' A' ' 28' ' ' ASN . 2.8 m-30 -88.25 -142.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.475 ' HA ' ' HB2' ' A' ' 30' ' ' ASP . 12.6 ttp180 -149.29 156.07 41.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.16 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.044 HD21 HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -112.99 138.72 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.678 ' N ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -122.78 130.71 53.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -90.07 123.98 34.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 20.4 mttt -131.75 79.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 1.047 ' CD1' HD13 ' A' ' 67' ' ' LEU . 4.7 m-85 -62.67 79.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.774 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 44.4 m-85 -144.02 7.94 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.522 ' HG2' HD13 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -61.7 -10.5 8.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 1.183 . . . . 0.0 111.015 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.13 -0.82 20.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.431 ' HB3' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -175.14 131.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.544 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 3.1 m -152.53 -175.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.6 mt-30 -168.66 82.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 138' ' ' MET . 0.5 OUTLIER -76.68 144.69 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' LYS . 0.5 OUTLIER -133.85 84.05 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.634 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 51.5 p-10 -63.18 78.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -103.9 78.45 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 6.0 t70 -154.39 -159.3 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.752 ' C ' HG23 ' A' ' 107' ' ' THR . 0.1 OUTLIER 162.59 -24.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.393 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.752 HG23 ' C ' ' A' ' 106' ' ' ASP . 1.3 p 71.69 -6.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.442 ' H ' ' C ' ' A' ' 106' ' ' ASP . 7.4 m-20 -62.37 -6.52 3.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 107' ' ' THR . 4.2 tt0 -157.24 -20.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -108.86 -171.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -75.77 -88.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.474 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 1.6 t-80 -178.01 79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.98 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -167.27 148.35 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -115.48 174.49 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.688 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -100.59 118.8 37.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.72 HD13 ' N ' ' A' ' 116' ' ' ILE . 1.1 mm -95.47 157.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 100' ' ' GLN . 40.2 mt -150.86 110.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.774 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -110.56 178.0 4.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 118' ' ' LEU . 2.3 tptp -54.18 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.2 t70 45.73 23.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 42.38 83.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.546 ' HB2' HD12 ' A' ' 118' ' ' LEU . 15.6 m-20 -149.47 155.3 40.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -132.33 164.96 25.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.99 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.409 ' C ' HD12 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -149.77 179.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.82 HG21 HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -142.83 87.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.528 ' HB3' HD23 ' A' ' 50' ' ' LEU . 17.4 m-30 -87.26 135.4 33.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.98 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 62.4 m -109.02 117.32 33.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.151 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -118.6 144.29 46.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -115.28 0.84 13.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.493 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -113.43 111.99 22.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.113 . . . . 0.0 110.067 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.21 -38.06 5.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.378 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.61 -41.9 68.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.741 ' O ' ' N ' ' A' ' 137' ' ' TRP . 15.5 mm-40 -59.22 -48.82 80.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 138' ' ' MET . 1.2 ttpm? -54.45 -44.74 72.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.573 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 3.8 t-20 -70.53 -41.78 72.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.3 OUTLIER -76.93 -17.1 59.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.151 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 38.1 m0 -79.27 -39.48 32.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.034 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.601 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -91.24 -35.89 14.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -58.64 -49.46 77.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -57.49 -40.12 77.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.504 HD22 ' HB ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -69.11 -46.18 68.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.512 HG12 ' CG2' ' A' ' 101' ' ' ILE . 3.1 mm -67.08 -20.22 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -48.83 68.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.79 ' CD1' HD21 ' A' ' 63' ' ' LEU . 82.4 mt -71.45 -57.16 4.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.482 ' HB2' HG22 ' A' ' 99' ' ' VAL . 1.2 tm0? -43.34 -25.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.948 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.5 OUTLIER -78.21 -38.33 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.383 1.052 . . . . 0.0 111.001 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 144' ' ' LEU . 25.3 mtt-85 -78.94 49.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.64 25.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.72 -37.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 110.406 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.948 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER -78.88 -158.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.66 ' N ' HD12 ' A' ' 150' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.542 0.21 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.506 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 5.1 p30 -69.51 -35.23 75.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -87.28 -11.27 50.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -100.87 -33.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.476 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.1 mt-30 -47.71 -30.61 3.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -91.22 36.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.643 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -167.57 24.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.518 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.9 pp -119.48 -132.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -167.44 -82.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.588 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -101.37 10.96 58.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.584 ' C ' ' O ' ' A' ' 31' ' ' GLY . 63.5 t-105 28.09 -98.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' GLY . 11.0 mm-40 48.21 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.22 -130.15 9.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -74.27 -83.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.285 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.533 ' OD1' HD13 ' A' ' 37' ' ' ILE . 1.1 t0 -165.45 -162.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.533 HD13 ' OD1' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -101.81 62.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.87 8.43 86.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -85.07 -32.84 22.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.749 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -108.23 -31.13 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.293 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER 158.14 119.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 108.327 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.452 ' OD1' ' CD2' ' A' ' 64' ' ' PHE . 53.6 t30 -159.66 25.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -72.12 94.12 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' GLU . 28.1 m-85 -34.79 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.878 HD12 HD21 ' A' ' 144' ' ' LEU . 1.4 mt -59.1 -69.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.618 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -126.69 143.01 51.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . 4.6 mp0 -118.01 123.1 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -169.51 156.44 27.45 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.605 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -110.13 129.91 55.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 110.376 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.819 HD22 ' CD2' ' A' ' 126' ' ' PHE . 2.0 mp -126.29 156.75 39.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.515 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -112.63 138.1 49.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 7.9 ttp85 -89.31 94.16 9.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.6 t -81.26 78.37 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.692 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -171.11 29.11 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.32 -22.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.4 0.706 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.649 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 100.15 78.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 74' ' ' ASN . 67.6 m-70 -141.85 135.41 29.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.072 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.409 ' CG ' ' OG1' ' A' ' 51' ' ' THR . 60.4 tt0 -143.04 139.92 30.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.764 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -175.69 -175.04 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.653 ' O ' HD13 ' A' ' 61' ' ' ILE . 1.6 t-80 -92.51 147.1 23.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.58 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.801 HD12 ' HB2' ' A' ' 70' ' ' CYS . 37.1 mm -123.2 119.04 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 47' ' ' GLU . 64.2 m-85 -124.66 110.11 13.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.041 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -92.2 129.03 38.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CE2' ' HB ' ' A' ' 69' ' ' ILE . 4.0 m-85 -97.93 156.51 16.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' CA ' HG13 ' A' ' 45' ' ' ILE . 1.5 t0 -65.22 -11.79 44.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' ' 41' ' ' CYS . . . -101.53 -32.61 5.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.415 HD21 HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -176.75 139.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.705 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -78.64 115.32 18.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.892 HD12 ' CD2' ' A' ' 90' ' ' LEU . 17.4 mm -108.52 118.68 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.801 ' HB2' HD12 ' A' ' 61' ' ' ILE . 14.4 p -103.23 117.34 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 108.355 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.764 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 2.7 m -97.69 99.18 10.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.35 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.594 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 30.9 mttt -91.28 155.49 18.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.62 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 14.1 t -147.6 133.4 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 23.0 t-20 -125.76 167.82 14.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -43.0 123.76 2.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.548 1.155 . . . . 0.0 109.588 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.95 -145.35 17.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.438 ' N ' ' HD3' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -172.84 62.88 0.29 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 110.256 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.4 Cg_endo -75.01 168.38 24.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.532 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 155.35 -18.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.579 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -50.34 -47.69 82.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.98 1.94 7.17 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -123.81 -119.55 2.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.118 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.97 -166.85 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.483 ' O ' ' ND2' ' A' ' 85' ' ' ASN . 41.4 t -106.55 41.02 1.51 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 84' ' ' SER . 0.4 OUTLIER 161.4 44.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.529 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . -115.08 62.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 86' ' ' ALA . 19.8 mt-10 -32.95 -58.88 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.656 ' CE2' ' NE ' ' A' ' 59' ' ' ARG . 1.6 m-30 -74.04 -168.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -143.85 117.99 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.049 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.98 152.09 44.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.732 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -136.6 116.26 12.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 11.4 pt-20 -59.45 116.17 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.62 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 6.6 mmtm -132.11 83.47 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -59.47 78.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.0 ' CE1' HD22 ' A' ' 118' ' ' LEU . 6.6 m-30 -92.06 -46.01 8.01 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.816 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -41.37 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -81.36 -51.09 8.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG3' ' CB ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -173.42 149.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 145' ' ' GLN . 14.0 m -155.33 -176.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' ILE . 2.1 tt0 -167.64 85.49 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.628 HD12 HD12 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -74.58 141.4 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.459 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -134.98 90.94 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.642 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 13.2 p-10 -67.37 79.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -99.05 79.61 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.49 ' OD2' HG23 ' A' ' 107' ' ' THR . 10.8 t0 -138.31 171.92 13.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.748 ' O ' ' N ' ' A' ' 108' ' ' ASN . 1.3 t70 -140.89 12.55 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.654 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.6 OUTLIER 13.34 -76.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.748 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.7 m120 -31.42 -32.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.6 tt0 -112.01 -31.14 7.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.573 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.1 m-30 -105.26 -166.89 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.489 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -82.44 -92.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.455 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -174.73 79.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.581 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.881 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -162.66 152.63 16.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.678 ' HD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -136.97 169.97 16.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.76 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -96.77 122.17 39.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 110.331 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.76 HD13 ' C ' ' A' ' 115' ' ' GLU . 2.0 mm -104.28 148.14 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 100' ' ' GLN . 1.9 mp -132.36 134.99 58.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.0 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -123.11 134.96 54.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.5 ' CB ' ' HG3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -45.71 -25.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.876 ' HB3' HD12 ' A' ' 118' ' ' LEU . 24.4 t0 -52.1 -16.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 5.4 mt-10 87.4 46.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -151.24 159.95 44.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -124.21 163.05 22.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.95 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.51 ' C ' HD12 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -142.62 176.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.773 HG21 ' O ' ' A' ' 53' ' ' VAL . 5.3 mp -140.19 80.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.819 ' CD2' HD22 ' A' ' 50' ' ' LEU . 11.6 m-30 -75.03 156.62 35.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.881 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 37.1 m -138.83 112.11 8.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.0 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -110.65 158.49 18.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -118.78 -8.67 10.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.507 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -112.79 114.92 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.952 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.16 -35.6 3.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -68.8 -39.97 79.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.685 ' HB3' ' NE1' ' A' ' 137' ' ' TRP . 4.2 mm-40 -61.28 -45.14 95.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 138' ' ' MET . 3.5 ttpt -57.9 -38.41 75.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.459 ' O ' ' HG3' ' A' ' 138' ' ' MET . 2.0 t-20 -78.58 -38.36 40.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.3 m-20 -77.91 -19.06 55.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.389 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.0 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 41.3 m0 -78.74 -46.33 19.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -77.64 -39.75 44.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -59.71 -42.02 92.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.571 ' HB2' ' SD ' ' A' ' 46' ' ' MET . . . -63.98 -43.88 94.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.811 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -64.03 -45.5 88.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' A' ' 101' ' ' ILE . 13.9 mm -70.39 -15.36 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.75 -42.41 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.041 HD11 ' CD1' ' A' ' 63' ' ' LEU . 62.0 mt -70.13 -63.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.394 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.684 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -48.26 -22.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.605 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.5 OUTLIER -73.02 -27.81 61.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 111.006 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 144' ' ' LEU . 6.6 mpt_? -92.12 25.28 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.46 31.19 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.054 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.78 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 151' ' ' GLU . 0.8 OUTLIER -98.85 -160.69 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.719 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.701 ' O ' ' N ' ' A' ' 26' ' ' GLN . 5.8 ptp . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.495 0.188 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.548 ' N ' ' CG ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -67.24 -53.2 32.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.29 -4.14 24.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.488 ' O ' HG13 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -117.36 -17.42 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.359 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.701 ' N ' ' O ' ' A' ' 22' ' ' MET . 9.6 pt20 -51.54 -17.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -96.57 38.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -177.52 30.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.845 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.6 pp -136.83 -145.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' H ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -157.59 -81.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.44 19.34 29.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.564 ' C ' ' O ' ' A' ' 31' ' ' GLY . 57.3 t-105 29.46 -95.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.683 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER 174.9 -173.98 0.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . -116.9 -173.99 16.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 6.3 mptt 66.42 -75.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 3.1 m-20 154.4 145.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 33' ' ' GLU . 3.2 mt -134.59 -45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.375 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' HA2' ' CB ' ' A' ' 42' ' ' ASN . . . -77.54 2.61 62.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.123 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -100.55 -17.27 17.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.229 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -152.3 25.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.227 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER 177.8 -158.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.278 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 54.9 t30 79.22 29.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -8.09 34.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER 55.16 102.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.974 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.152 ' CD1' HD21 ' A' ' 144' ' ' LEU . 15.5 mt -78.17 -72.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.538 ' HG3' HG22 ' A' ' 45' ' ' ILE . 2.3 mtp -139.71 133.4 30.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.591 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -110.22 116.67 31.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 61' ' ' ILE . . . -148.49 160.79 28.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.454 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -113.06 116.17 29.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.927 HD13 ' CG1' ' A' ' 61' ' ' ILE . 2.6 mp -118.18 146.02 44.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -98.35 143.49 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.482 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 52' ' ' ARG . 2.4 ptm85 -99.98 105.45 17.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.809 HG12 ' H ' ' A' ' 54' ' ' GLY . 3.3 t -71.44 -176.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.809 ' H ' HG12 ' A' ' 53' ' ' VAL . . . 76.38 1.46 70.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -156.7 -40.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.7 OUTLIER 89.71 78.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.357 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.647 ' CE1' ' O ' ' A' ' 58' ' ' GLU . 39.1 t-80 -153.61 153.18 31.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.647 ' O ' ' CE1' ' A' ' 57' ' ' HIS . 1.5 mt-10 -105.87 159.03 16.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.516 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 7.5 ptm180 -160.42 112.77 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.591 1.182 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.594 ' CB ' ' CD2' ' A' ' 88' ' ' TYR . 18.2 t60 -66.01 92.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.591 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.927 ' CG1' HD13 ' A' ' 50' ' ' LEU . 48.8 mm -62.0 155.33 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -170.34 82.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -71.51 125.09 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 7.7 m-30 -98.0 157.0 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.858 ' HA ' HD11 ' A' ' 45' ' ' ILE . 6.7 t0 -69.27 -0.83 6.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.05 -28.36 3.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 68' ' ' MET . 0.5 OUTLIER -174.16 174.75 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.746 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -89.76 104.79 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.963 HD12 HD21 ' A' ' 90' ' ' LEU . 6.4 mm -100.34 131.8 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.669 ' HB3' HD13 ' A' ' 61' ' ' ILE . 5.7 m -136.31 111.92 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.278 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 60' ' ' HIS . 0.8 OUTLIER -90.97 103.37 16.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 108.281 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.542 ' HB2' ' HE1' ' A' ' 57' ' ' HIS . 2.0 ptmt -59.68 151.13 25.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.534 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 35.0 t -140.87 124.4 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.192 . . . . 0.0 110.01 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.671 HD21 ' H ' ' A' ' 75' ' ' HIS . 0.2 OUTLIER -116.24 -155.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.671 ' H ' HD21 ' A' ' 74' ' ' ASN . 0.0 OUTLIER 178.83 51.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.624 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.19 -69.79 0.44 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -147.84 65.54 9.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.3 Cg_endo -75.01 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER 85.13 14.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 37.3 mt -56.71 -44.78 99.9 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.93 -0.66 10.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.618 ' O ' ' HB2' ' A' ' 83' ' ' ALA . . . 97.71 -53.62 1.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 82' ' ' GLY . . . 167.63 103.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 86' ' ' ALA . 14.5 m -127.44 22.89 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.936 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 12.2 m120 39.31 31.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.845 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -107.92 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -32.22 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.594 ' CD2' ' CB ' ' A' ' 60' ' ' HIS . 1.1 m-85 -118.01 143.88 46.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -88.17 120.35 29.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.963 HD21 HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -57.6 142.52 44.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.629 ' H ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -133.25 130.95 39.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -85.16 116.37 23.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 68' ' ' MET . 1.7 mmtt -133.5 75.68 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.452 ' HA ' ' HB2' ' A' ' 67' ' ' LEU . 12.2 p90 -76.66 75.03 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.147 ' CD2' HD13 ' A' ' 118' ' ' LEU . 3.7 m-85 -138.01 -0.16 2.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.932 ' HB2' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.62 -36.13 44.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' A' ' 96' ' ' MET . 4.3 ttm-85 -62.37 -6.86 3.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 95' ' ' PHE . 8.0 tttt -171.44 105.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.693 HG21 ' HG ' ' A' ' 141' ' ' LEU . 1.5 m -138.88 161.81 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 117' ' ' ILE . 5.2 mt-30 -147.17 128.62 14.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -116.1 143.09 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.512 ' N ' HG13 ' A' ' 101' ' ' ILE . 9.2 t-20 -148.86 117.06 6.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.612 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 17.8 p-10 -76.64 78.49 3.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 77.16 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 34.4 t70 -158.22 -51.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.608 ' CB ' ' O ' ' A' ' 105' ' ' ASP . 16.0 t0 90.9 -172.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 111' ' ' LYS . 6.4 p -152.1 -61.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' THR . 3.0 t30 -39.89 -27.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.575 ' HG2' ' CE1' ' A' ' 110' ' ' TYR . 9.2 tt0 -124.49 -14.36 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.666 ' CG ' ' O ' ' A' ' 105' ' ' ASP . 5.1 m-85 -125.96 -168.47 1.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.789 ' O ' HG22 ' A' ' 107' ' ' THR . 3.4 tttt -79.87 -94.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.573 ' O ' ' HA ' ' A' ' 127' ' ' SER . 5.7 p-80 174.17 78.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.769 ' HB2' HG21 ' A' ' 53' ' ' VAL . . . -138.0 164.39 29.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.756 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.5 152.23 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.419 ' C ' HD13 ' A' ' 116' ' ' ILE . 2.2 mt-10 -84.72 101.85 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -89.58 107.06 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 100' ' ' GLN . 58.6 mt -101.24 86.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.244 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.147 HD13 ' CD2' ' A' ' 95' ' ' PHE . 3.4 pp -90.26 161.11 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.694 ' O ' HD12 ' A' ' 118' ' ' LEU . 17.6 tttp -45.37 175.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.069 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.574 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 8.1 t0 76.37 -0.33 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.89 60.65 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -137.85 124.77 21.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 83.1 p -100.76 150.23 23.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.066 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.671 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.8 OUTLIER -134.71 -179.94 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.728 HG22 ' HB1' ' A' ' 113' ' ' ALA . 7.4 mm -138.62 79.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.783 ' CD2' HD22 ' A' ' 50' ' ' LEU . 10.2 m-30 -73.95 124.25 25.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.573 ' HA ' ' O ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -103.64 113.32 26.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.015 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.175 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -114.76 132.29 56.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.168 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -106.62 19.47 20.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 133' ' ' GLU . 1.0 OUTLIER -131.66 110.74 11.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -45.58 -37.19 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -72.41 -37.49 68.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.805 ' O ' ' N ' ' A' ' 137' ' ' TRP . 18.0 mt-10 -62.33 -51.3 68.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.1 OUTLIER -52.32 -43.78 64.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.391 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.513 ' O ' ' HG3' ' A' ' 138' ' ' MET . 0.7 OUTLIER -69.31 -47.54 64.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.8 OUTLIER -76.19 -13.35 60.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.175 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 32.6 m0 -83.44 -43.36 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 108.059 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.533 ' HA ' HG21 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -82.91 -35.33 26.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -65.18 -43.76 90.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.411 ' HB1' HD11 ' A' ' 63' ' ' LEU . . . -59.93 -42.72 94.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.693 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.68 -46.75 62.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 101' ' ' ILE . 18.6 mm -66.82 -20.23 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 139' ' ' ALA . 2.4 m -70.17 -44.18 69.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.152 HD21 ' CD1' ' A' ' 45' ' ' ILE . 73.7 mt -70.38 -58.39 3.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.559 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -47.75 -23.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.861 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.4 OUTLIER -75.47 -29.95 59.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.3 OUTLIER -83.95 45.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.4 27.03 2.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -172.16 -38.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.861 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER -83.27 -161.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.776 ' N ' HD12 ' A' ' 150' ' ' LEU . 1.1 tp10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.537 ' O ' ' CB ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.513 0.197 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 7.8 p30 -77.62 -41.13 39.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.438 ' C ' ' HE3' ' A' ' 27' ' ' LYS . 12.4 pt-20 -88.88 1.1 55.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.81 HD11 ' CE1' ' A' ' 44' ' ' PHE . 21.8 mt -121.03 -24.0 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.575 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -47.61 -19.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -101.28 40.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -178.35 26.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.069 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.3 pp -122.5 -151.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.455 ' OD2' ' CZ ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -153.67 -79.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.607 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -117.98 23.68 9.22 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.607 ' C ' ' O ' ' A' ' 31' ' ' GLY . 47.9 t-105 25.68 -95.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' GLY . 1.8 tt0 -174.02 -163.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.69 -144.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.442 1.089 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -55.24 -18.24 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 0.795 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.3 m-20 -38.46 149.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.556 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -136.37 -46.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.46 39.68 0.02 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.418 1.074 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -122.47 -5.07 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.737 . . . . 0.0 110.367 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 41' ' ' CYS . 15.1 m -111.43 -16.69 13.27 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.417 1.073 . . . . 0.0 108.264 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.826 ' SG ' HD23 ' A' ' 67' ' ' LEU . 27.0 p 175.91 98.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 0.0 108.288 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -175.8 31.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 65' ' ' ASP . 2.6 mm-40 -86.06 -8.86 57.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.81 ' CE1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 57.79 71.98 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.827 HD12 HD21 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -67.54 -72.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.656 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -130.54 115.93 17.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.509 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 2.3 pt-20 -101.01 123.89 45.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.11 161.23 34.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.07 116.65 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.349 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.925 HD13 HG13 ' A' ' 61' ' ' ILE . 3.7 mp -110.88 140.88 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.568 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -93.09 137.24 32.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 6.8 ttp-105 -88.24 107.75 18.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.4 t -92.34 76.26 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.692 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -162.19 24.24 0.22 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 163.55 -23.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER 98.75 82.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 34.0 m80 -164.04 143.75 7.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.56 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 73' ' ' SER . 20.6 tt0 -111.21 167.79 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.603 ' NH2' HG12 ' A' ' 124' ' ' VAL . 4.6 ptt180 -163.09 123.62 2.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -71.42 95.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.574 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.925 HG13 HD13 ' A' ' 50' ' ' LEU . 41.4 mm -63.65 153.99 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.384 1.052 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 61' ' ' ILE . 10.0 m-85 -168.06 84.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.121 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -77.15 131.9 38.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.367 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 69' ' ' ILE . 17.5 m-30 -103.05 160.77 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 111.022 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.501 ' CA ' HG13 ' A' ' 45' ' ' ILE . 2.4 t0 -73.0 5.34 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -119.38 -29.89 1.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.826 HD23 ' SG ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -176.43 161.16 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.243 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.686 ' CE ' HD11 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -79.52 123.21 27.36 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.562 HG13 ' CE2' ' A' ' 64' ' ' PHE . 18.2 mm -121.64 122.89 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.555 ' HB3' HD13 ' A' ' 61' ' ' ILE . 8.3 m -120.22 133.86 55.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 108.299 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 60' ' ' HIS . 2.3 m -107.97 121.53 44.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 108.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -74.17 133.01 42.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.58 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 58.3 p -128.9 122.33 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -146.99 125.25 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.4 167.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.666 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 77' ' ' GLN . . . 175.43 178.99 45.7 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.541 1.151 . . . . 0.0 111.059 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.453 ' O ' HD21 ' A' ' 80' ' ' LEU . 0.1 OUTLIER 165.35 -54.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -75.04 -161.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 67.41 29.21 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 4.2 mt -54.19 -46.55 98.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.92 -1.82 11.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 81' ' ' PRO . . . 42.31 95.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 84' ' ' SER . . . -164.75 -148.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.476 ' O ' ' ND2' ' A' ' 85' ' ' ASN . 9.5 m -37.87 117.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 84' ' ' SER . 0.4 OUTLIER 161.68 123.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.069 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -94.53 41.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.583 ' C ' ' O ' ' A' ' 86' ' ' ALA . 10.5 mt-10 -22.85 -56.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.357 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 73' ' ' SER . 2.9 m-85 -94.9 149.29 21.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.455 ' CZ ' ' OD2' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -97.34 124.5 41.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.029 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -57.67 153.27 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.668 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -139.37 125.04 19.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.51 116.69 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 9.8 mttt -132.66 76.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CA ' HD13 ' A' ' 67' ' ' LEU . 4.8 p90 -76.35 76.53 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.803 ' CE2' HD13 ' A' ' 118' ' ' LEU . 12.4 m-85 -132.95 -7.25 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.873 ' CB ' HD13 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -49.9 -38.85 37.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 111.052 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.475 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -60.63 -11.53 7.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.494 ' CG ' ' OE1' ' A' ' 145' ' ' GLN . 12.3 tttt -175.15 90.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 141' ' ' LEU . 5.5 m -110.2 -179.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -167.34 104.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.96 HD12 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -94.74 135.91 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.378 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.6 m-20 -126.77 77.57 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.639 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 3.6 p-10 -59.98 82.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.484 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . 9.8 tptt -90.0 77.54 6.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 106' ' ' ASP . 2.9 t70 -152.03 -148.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 105' ' ' ASP . 4.7 m-20 151.72 -9.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 106' ' ' ASP . 61.2 p 51.44 -146.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.591 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 3.2 m-80 45.55 18.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 108' ' ' ASN . 2.2 mt-10 -176.96 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -98.7 -169.79 1.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.537 ' HE3' ' CG ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -84.02 -94.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.39 1.056 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.537 ' CG ' ' HE3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -178.88 75.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 126' ' ' PHE . . . -157.3 168.81 26.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.664 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -156.87 161.77 39.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.527 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -90.88 130.99 36.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.96 HD12 HD12 ' A' ' 101' ' ' ILE . 2.7 mm -110.21 169.02 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' GLN . 29.9 mt -154.81 94.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.803 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -101.4 104.34 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.772 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER 23.4 -152.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' A' ' 119' ' ' LYS . 22.3 t0 26.55 36.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 119' ' ' LYS . 5.3 tt0 33.3 36.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.503 ' HB3' HD11 ' A' ' 118' ' ' LEU . 5.7 m-20 -100.39 122.3 42.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -102.63 166.32 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.603 HG12 ' NH2' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -146.36 173.98 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.247 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.855 HG21 ' O ' ' A' ' 53' ' ' VAL . 2.9 mp -134.64 78.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.73 ' CD2' HD22 ' A' ' 50' ' ' LEU . 2.9 m-85 -72.21 164.47 26.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.68 ' OG ' HG23 ' A' ' 53' ' ' VAL . 67.7 m -143.69 99.3 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.095 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.72 148.37 25.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -118.87 -6.51 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.553 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 3.3 t -107.28 111.94 24.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -43.05 -36.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -70.91 -46.21 62.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.724 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 5.9 mm-40 -60.72 -38.48 85.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -63.07 -36.76 84.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 21.1 t-20 -82.81 -36.74 25.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 0.8 OUTLIER -76.96 -26.13 53.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.095 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 40.2 m0 -70.05 -50.31 42.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 108.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.519 ' HA ' HG21 ' A' ' 101' ' ' ILE . 1.1 ppp? -74.25 -39.96 62.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.92 -40.77 98.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 136' ' ' ASN . . . -59.99 -46.84 88.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.686 HD11 ' CE ' ' A' ' 68' ' ' MET . 0.5 OUTLIER -67.0 -48.63 67.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.54 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 2.7 mm -64.04 -19.75 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -68.37 -42.76 78.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.121 HD11 ' CD1' ' A' ' 63' ' ' LEU . 82.2 mt -71.86 -63.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.494 ' OE1' ' CG ' ' A' ' 98' ' ' LYS . 37.4 tp60 -44.06 -24.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.954 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -73.65 -40.35 63.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.2 mtp180 -79.28 50.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.63 33.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.5 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.444 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.954 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.2 pp -79.32 -158.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.766 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.506 0.193 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 2.8 p30 -69.65 -42.78 73.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.222 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -76.63 -14.04 60.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.764 HG23 HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -96.47 -34.31 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.552 ' CD ' ' CE ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -51.5 -19.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.552 ' CE ' ' CD ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -121.65 30.74 6.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.567 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 2.2 t-20 -137.43 -34.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.097 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.7 pp -54.24 -156.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' N ' HD12 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -142.81 -76.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.559 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.0 23.45 23.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.674 ' HZ2' HD12 ' A' ' 37' ' ' ILE . 66.7 t-105 28.8 -99.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' GLY . 2.6 mt-10 167.14 -163.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 33' ' ' GLU . . . -44.85 171.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -21.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' GLY . 5.9 m-20 -132.93 -169.25 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.799 HD13 ' N ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -138.82 71.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA3' ' SG ' ' A' ' 41' ' ' CYS . . . 111.93 -27.66 10.1 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.455 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 32.8 mt-30 74.0 8.92 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.779 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 39' ' ' GLN . 0.1 OUTLIER 162.78 33.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.268 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.452 ' O ' ' O ' ' A' ' 37' ' ' ILE . 1.4 p -173.42 -167.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 37' ' ' ILE . 2.6 t30 56.58 40.52 29.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -73.79 -102.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 47' ' ' GLU . 2.7 t80 -154.81 106.07 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.731 HG21 HD12 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -82.85 -78.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.616 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -134.39 137.65 44.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.6 ' HB2' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -107.52 116.64 32.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -159.17 165.66 34.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.087 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.555 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -123.36 121.17 35.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 0.731 . . . . 0.0 110.37 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.837 HD22 ' CD2' ' A' ' 126' ' ' PHE . 2.9 mp -112.84 146.68 38.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 127' ' ' SER . 0.9 OUTLIER -91.68 137.76 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.388 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -91.51 80.58 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.864 HG12 HG21 ' A' ' 125' ' ' ILE . 1.0 OUTLIER -58.59 173.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.626 ' N ' HG13 ' A' ' 53' ' ' VAL . . . 100.85 -1.98 55.47 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -172.13 -76.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 5.3 ptmt 160.25 71.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -135.26 148.82 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.62 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.586 ' O ' ' O ' ' A' ' 73' ' ' SER . 4.8 mp0 -141.82 152.96 44.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -163.35 152.62 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.555 ' CG ' ' HB ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -87.5 97.01 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.693 ' CG1' HD13 ' A' ' 50' ' ' LEU . 41.2 mm -69.3 113.84 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.6 ' CE1' ' HB2' ' A' ' 47' ' ' GLU . 1.5 m-30 -123.02 86.06 2.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.8 HD22 ' HE3' ' A' ' 68' ' ' MET . 0.3 OUTLIER -73.92 133.74 43.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' A' ' 69' ' ' ILE . 19.6 m-30 -106.64 157.71 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.487 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -72.55 58.3 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.56 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 174.48 -35.84 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' A' ' 94' ' ' PHE . 15.5 mt -164.79 125.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.8 ' HE3' HD22 ' A' ' 63' ' ' LEU . 1.6 ttm -68.51 135.86 52.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 64' ' ' PHE . 38.3 mm -119.16 151.75 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 4.5 m -142.39 107.95 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 12.6 p -83.17 111.4 18.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 59' ' ' ARG . 10.6 tttt -58.08 137.06 57.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.599 ' OG ' ' CE2' ' A' ' 88' ' ' TYR . 5.0 m -139.79 147.37 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -150.47 169.25 21.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -90.3 98.71 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.609 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.59 -161.05 33.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.33 123.79 16.81 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.3 Cg_endo -75.02 165.01 32.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 153.67 -16.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.28 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 3.5 mt -51.89 -46.02 92.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.0 0.95 8.29 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.533 1.807 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.59 -55.1 3.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.17 138.72 11.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.396 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.4 OUTLIER -109.43 164.4 12.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.665 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 3.2 m120 80.86 140.09 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.097 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 81.5 48.56 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.0 mt-10 -36.18 -50.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.599 ' CE2' ' OG ' ' A' ' 73' ' ' SER . 13.2 m-30 -80.17 -177.8 6.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -133.75 112.53 11.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.368 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.0 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.73 140.9 54.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.517 ' N ' HD22 ' A' ' 90' ' ' LEU . 19.4 tttt -127.75 145.66 50.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -88.2 117.25 26.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -123.07 97.57 5.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.224 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.764 ' HA ' HD22 ' A' ' 67' ' ' LEU . 39.9 m-85 -67.32 80.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.841 ' CD2' HG11 ' A' ' 99' ' ' VAL . 6.9 m-85 -101.91 -45.34 5.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.441 ' HA ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -44.36 -20.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' N ' ' C ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -85.19 -50.75 7.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.28 142.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.841 HG11 ' CD2' ' A' ' 95' ' ' PHE . 16.3 m -145.36 -179.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 109.247 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 117' ' ' ILE . 2.8 tt0 -164.46 102.45 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.989 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -95.31 135.93 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.408 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -130.18 91.82 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.643 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 28.6 p-10 -68.5 79.58 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -104.23 79.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.528 ' OD2' HG23 ' A' ' 107' ' ' THR . 15.3 t0 -134.14 173.22 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.776 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.2 OUTLIER -148.47 17.6 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.648 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 12.51 -74.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.776 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.1 t30 -31.34 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.5 tt0 -110.73 -32.2 6.95 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.586 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.6 m-30 -104.12 -166.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.614 1.196 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.592 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -84.18 -88.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -175.42 78.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 127' ' ' SER . . . -167.87 161.08 12.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.682 ' HD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -135.79 173.3 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.456 ' HG2' ' CB ' ' A' ' 104' ' ' LYS . 4.9 pt-20 -95.36 121.68 37.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.989 HD12 HD12 ' A' ' 101' ' ' ILE . 3.8 mm -98.71 164.95 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 117' ' ' ILE . 74.3 mt -148.4 79.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.623 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 3.0 pp -82.26 172.83 12.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.8 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.92 17.19 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 45.26 68.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -138.41 125.85 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 150.39 20.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.55 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -137.68 174.78 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.864 HG21 HG12 ' A' ' 53' ' ' VAL . 4.5 mm -133.56 82.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.837 ' CD2' HD22 ' A' ' 50' ' ' LEU . 12.2 m-30 -75.69 145.18 41.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.758 ' HB2' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -124.51 111.52 15.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.97 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.111 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.19 143.87 41.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.67 -4.89 14.01 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.49 112.43 24.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.34 -37.84 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -68.7 -42.62 77.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.71 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 11.3 mm-40 -62.43 -38.67 90.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -60.94 -36.83 80.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 138' ' ' MET . 58.0 t30 -84.0 -37.27 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.509 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 1.1 m-20 -77.38 -21.83 52.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.111 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 37.9 m0 -74.57 -50.31 18.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 108.002 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.446 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -71.66 -52.43 17.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.388 1.055 . . . . 0.0 111.009 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.446 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -52.13 -44.32 64.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 136' ' ' ASN . . . -59.46 -37.87 79.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.676 HD22 ' HB ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -68.99 -52.59 27.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.29 -17.3 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 t -69.93 -42.65 72.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 95' ' ' PHE . 15.8 mt -67.85 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.778 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -46.9 -23.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.256 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.828 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.2 OUTLIER -72.84 -31.17 64.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -86.16 43.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.251 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.3 31.95 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.29 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER -86.93 -159.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.729 ' N ' HD12 ' A' ' 150' ' ' LEU . 9.3 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.703 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.563 0.221 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.572 ' N ' ' SD ' ' A' ' 22' ' ' MET . 1.8 p-10 -67.42 -36.49 81.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -96.27 -0.17 50.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' O ' HG13 ' A' ' 29' ' ' ILE . 37.6 mt -118.69 -20.27 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.703 ' N ' ' O ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -54.33 -36.69 64.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 47.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' N ' ' HA ' ' A' ' 86' ' ' ALA . 2.5 t30 178.56 24.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.902 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.3 pp -131.52 -135.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.522 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -176.15 -80.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.571 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -100.38 11.2 59.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.55 ' C ' ' O ' ' A' ' 31' ' ' GLY . 53.3 t-105 30.91 70.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.486 ' HB3' ' CG ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -82.54 -1.53 50.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 33' ' ' GLU . . . -44.51 170.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.43 -36.22 22.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 0.81 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.477 ' HB2' ' CG ' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -169.3 -174.7 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.55 HG22 ' H ' ' A' ' 38' ' ' GLY . 5.3 mt -78.67 -123.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.55 ' H ' HG22 ' A' ' 37' ' ' ILE . . . -98.67 29.48 11.51 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.477 ' CG ' ' HB2' ' A' ' 36' ' ' ASP . 11.9 pt20 -98.92 -29.47 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' CB ' ' OD1' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -139.95 28.94 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.329 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 p 167.75 99.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.257 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -156.47 26.97 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 44' ' ' PHE . 25.7 mm-40 -133.71 59.05 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.641 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 25.0 p90 -30.8 128.46 0.14 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.973 ' HB ' HD23 ' A' ' 63' ' ' LEU . 2.7 mt -97.27 -68.12 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.702 ' HG3' HD22 ' A' ' 63' ' ' LEU . 4.5 mtp -89.7 109.63 20.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' CG ' ' CD1' ' A' ' 44' ' ' PHE . 4.8 mm-40 -110.52 83.89 1.84 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -163.38 175.01 39.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.461 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -122.16 120.48 34.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 0.723 . . . . 0.0 110.433 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 HG13 ' A' ' 61' ' ' ILE . 4.3 mp -109.32 133.68 52.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.624 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.9 OUTLIER -78.91 135.83 37.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.361 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -93.66 93.64 8.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.758 HG21 ' CB ' ' A' ' 113' ' ' ALA . 1.4 t -74.94 -175.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.746 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . 93.22 11.55 58.41 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 54' ' ' GLY . . . 89.58 59.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.44 ' CB ' ' HD2' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -138.77 -111.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.498 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -174.8 -174.7 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.609 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 4.9 mt-10 -70.26 161.6 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.496 ' NH2' HG11 ' A' ' 124' ' ' VAL . 25.6 mtm180 -159.72 113.6 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.847 ' CD2' ' CE2' ' A' ' 88' ' ' TYR . 1.6 m-70 -68.05 120.82 14.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.899 HG13 HD13 ' A' ' 50' ' ' LEU . 39.0 mm -95.82 127.35 47.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CE1' ' OE1' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -136.17 81.43 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.042 HD21 HD11 ' A' ' 144' ' ' LEU . 0.7 OUTLIER -71.78 127.73 33.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.7 m-30 -101.63 143.12 31.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.8 t0 -54.68 -17.06 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.439 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . -95.59 -39.37 4.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 64' ' ' PHE . 56.7 mt -157.27 178.47 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 0.714 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.845 ' HB2' HD12 ' A' ' 63' ' ' LEU . 13.5 ttm -103.83 114.15 28.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 69' ' ' ILE . 9.4 mm -110.07 139.63 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.652 ' SG ' HD12 ' A' ' 61' ' ' ILE . 75.5 m -142.9 112.51 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 108.234 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 15.2 p -96.21 129.03 43.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -75.51 144.86 41.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.577 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 36.2 t -130.38 97.38 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.178 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.498 ' ND2' ' HB2' ' A' ' 57' ' ' HIS . 3.5 m120 -115.9 -64.11 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.91 -169.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.582 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -128.65 36.57 2.42 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.507 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -72.95 -51.62 6.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.449 0.734 . . . . 0.0 110.272 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -75.01 -166.07 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 65.9 17.3 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 33.6 mt -55.41 -45.28 99.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.7 Cg_endo -74.92 -0.21 9.66 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.044 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.653 ' O ' ' HB2' ' A' ' 83' ' ' ALA . . . -103.36 -94.84 2.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 82' ' ' GLY . . . 165.6 172.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.5 OUTLIER -68.81 -171.48 0.3 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.717 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 4.6 m120 81.15 137.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.902 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 85.65 46.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.182 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.7 mt-10 -32.12 -41.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.847 ' CE2' ' CD2' ' A' ' 60' ' ' HIS . 3.1 m-85 -112.3 138.55 48.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -81.43 116.65 21.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.027 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.94 151.61 14.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.695 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -137.92 123.05 19.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.486 ' CG ' ' HB3' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -65.93 123.69 20.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.677 ' O ' ' HB3' ' A' ' 68' ' ' MET . 22.1 mttt -148.44 73.48 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 42.7 p90 -78.24 76.2 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.652 ' CE2' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -130.28 0.32 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.582 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.61 -19.71 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -89.71 -4.17 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 119.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.866 HG21 ' HG ' ' A' ' 141' ' ' LEU . 1.2 m -145.65 179.46 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -164.54 109.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.225 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.666 HD12 HG12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -98.32 138.61 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 104' ' ' LYS . 20.6 t30 -128.58 80.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.616 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 23.7 p-10 -60.8 82.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -107.76 79.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 28.4 t0 -132.63 169.68 16.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.765 ' O ' ' N ' ' A' ' 108' ' ' ASN . 4.6 t0 -139.65 9.68 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.623 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 16.07 -77.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.765 ' N ' ' O ' ' A' ' 106' ' ' ASP . 93.8 m-20 -32.6 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.2 tt0 -113.91 -27.64 7.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.564 ' O ' ' O ' ' A' ' 107' ' ' THR . 14.0 m-30 -107.03 -168.56 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -77.87 -93.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.545 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.8 OUTLIER -176.74 75.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.574 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.934 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -165.29 163.11 20.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.616 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -137.43 176.9 8.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.36 124.27 45.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.666 HG12 HD12 ' A' ' 101' ' ' ILE . 4.3 mp -118.13 141.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 17.8 mt -131.64 117.67 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.652 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -93.82 145.1 24.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.482 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -37.28 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.643 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 4.6 t0 -43.69 -22.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.556 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 7.5 tt0 90.2 24.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.494 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 3.6 t-20 -122.73 167.57 13.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 8.0 p -118.97 166.32 13.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 109.968 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.496 HG11 ' NH2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -149.4 176.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 20.3 mt -141.3 84.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.591 ' HB2' HD11 ' A' ' 116' ' ' ILE . 4.4 m-85 -80.35 144.39 32.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.934 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -124.25 108.75 12.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.139 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -108.0 146.06 33.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 9.92 14.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.2 112.32 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' A' ' 134' ' ' LYS . . . -47.23 -27.97 1.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -77.08 -44.99 28.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.374 1.046 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.776 ' O ' ' N ' ' A' ' 137' ' ' TRP . 15.5 mt-10 -63.65 -43.74 95.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 131' ' ' ALA . 9.7 pttt -57.42 -37.76 73.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.473 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 2.4 t30 -81.7 -40.13 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.2 m-80 -77.36 -21.04 53.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.139 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 36.5 m0 -73.31 -45.64 54.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.111 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -80.65 -48.31 12.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.445 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -52.3 -48.2 65.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.65 ' HB3' ' SD ' ' A' ' 46' ' ' MET . . . -55.65 -42.48 75.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.866 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -66.18 -52.51 47.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.63 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 19.4 mm -64.15 -17.38 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.065 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 139' ' ' ALA . 7.6 t -69.01 -46.36 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.042 HD11 HD21 ' A' ' 63' ' ' LEU . 17.7 mt -69.4 -61.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.6 tt0 -47.1 -22.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.355 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.63 ' CE1' ' CG2' ' A' ' 142' ' ' ILE . 0.9 OUTLIER -75.88 -26.69 57.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 111.092 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 144' ' ' LEU . 19.0 mtp85 -86.06 7.71 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.19 29.63 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -174.94 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 151' ' ' GLU . 0.8 OUTLIER -106.21 -160.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.66 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.564 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.582 0.229 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 22' ' ' MET . 1.4 p-10 -70.52 -60.26 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.432 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 3.4 pt-20 -66.65 -9.7 38.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.619 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 2.2 mt -102.25 -28.27 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 22' ' ' MET . 1.4 mm-40 -50.79 -27.24 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HD2' ' ND2' ' A' ' 85' ' ' ASN . 1.2 mmtp -94.63 32.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.419 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 1.8 t-20 -160.97 22.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.366 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.714 HG22 ' CB ' ' A' ' 90' ' ' LEU . 1.8 pp -122.05 -128.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' N ' HD12 ' A' ' 29' ' ' ILE . 2.5 t70 -165.13 -72.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.647 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -126.3 16.91 6.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.647 ' C ' ' O ' ' A' ' 31' ' ' GLY . 32.7 t-105 20.69 -94.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER -172.42 -158.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . -62.29 -159.44 0.15 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ILE . 4.5 mptt -63.28 82.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.436 ' HB3' ' NE1' ' A' ' 32' ' ' TRP . 3.8 p30 -44.66 96.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.649 HD13 ' O ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -100.98 23.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.7 33.2 83.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.416 1.073 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -109.25 -24.05 11.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.909 ' HB3' HD11 ' A' ' 67' ' ' LEU . 84.1 m -106.63 8.0 30.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.6 ' HB2' ' CD2' ' A' ' 64' ' ' PHE . 5.6 t 169.28 113.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.319 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -142.84 16.08 1.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.395 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER 176.49 70.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 35.4 p90 -32.67 113.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.485 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 3.4 mm -53.05 -61.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.515 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 1.1 ptm -144.14 142.61 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 15.0 pt-20 -119.93 119.13 32.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ILE . . . -155.7 166.55 32.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.747 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -120.14 118.82 31.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.392 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.908 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.4 OUTLIER -115.09 142.7 46.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -77.59 121.87 24.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HD3' ' HB3' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -83.28 98.0 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.805 HG21 ' HB3' ' A' ' 113' ' ' ALA . 2.0 t -74.27 -176.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.71 ' H ' HG12 ' A' ' 53' ' ' VAL . . . 75.65 1.39 66.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.611 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -150.01 -42.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 0.775 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 1.3 tttt 96.11 67.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.56 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 91.5 m-70 -161.41 167.81 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.632 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 73' ' ' SER . 1.3 mp0 -112.28 158.11 20.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.511 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 21.2 mtm180 -148.31 117.21 6.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' CYS . 1.4 t60 -66.96 92.06 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.554 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.161 HD11 ' CZ ' ' A' ' 126' ' ' PHE . 17.3 mm -59.64 153.36 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -170.72 90.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.391 1.057 . . . . 0.0 110.99 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.974 HD13 HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -88.81 129.07 35.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.6 ' CD2' ' HB2' ' A' ' 41' ' ' CYS . 16.7 m-85 -99.75 151.72 20.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.421 1.076 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 7.6 t0 -59.57 -16.86 28.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.809 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -91.59 -36.62 6.43 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.909 HD11 ' HB3' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -174.32 147.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 0.802 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -78.94 138.09 37.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.94 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.797 ' C ' HD12 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -147.89 136.86 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.607 ' N ' HD12 ' A' ' 69' ' ' ILE . 13.5 p -109.36 154.79 22.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 60' ' ' HIS . 3.9 m -118.45 107.46 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -73.57 121.32 20.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 58' ' ' GLU . 11.9 p -123.43 105.79 10.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.075 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' OD1' ' CE1' ' A' ' 57' ' ' HIS . 8.7 t30 -137.75 84.79 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.18 142.79 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.564 1.165 . . . . 0.0 109.611 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.45 164.79 17.9 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.73 157.17 46.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.62 0.835 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -75.02 -170.4 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.475 1.776 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 80.75 23.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.602 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -66.66 -46.78 57.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.94 -0.1 9.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.424 1.749 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -103.99 40.15 2.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 64.57 88.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.78 . . . . 0.0 109.278 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 1.0 OUTLIER -147.77 -167.95 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 109.976 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.769 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 11.8 m-20 151.89 141.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 85' ' ' ASN . . . 91.3 46.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' ALA . 14.2 mt-10 -35.8 -49.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 86' ' ' ALA . 8.9 m-85 -83.62 -160.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -141.38 136.14 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.009 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -93.76 156.02 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.685 ' N ' HD22 ' A' ' 90' ' ' LEU . 4.6 tttt -139.89 100.44 3.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.545 ' HG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -58.54 132.25 53.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 68' ' ' MET . 0.8 OUTLIER -136.55 75.41 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.655 ' CD1' HD13 ' A' ' 67' ' ' LEU . 20.0 m-85 -60.91 79.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.039 ' CE2' HD13 ' A' ' 118' ' ' LEU . 13.2 m-85 -139.93 6.47 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.891 ' HA ' HD13 ' A' ' 144' ' ' LEU . 1.3 tmt? -57.04 -14.1 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 98' ' ' LYS . 9.5 ttt180 -97.1 -7.11 33.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 110.241 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 2.4 mttt -175.06 130.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.662 ' CG2' HD23 ' A' ' 141' ' ' LEU . 2.4 m -151.99 -179.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' A' ' 117' ' ' ILE . 6.2 mt-30 -158.27 76.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.839 HG12 HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -77.67 135.78 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.2 m-20 -128.3 75.54 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.787 ' HA ' ' HB2' ' A' ' 114' ' ' PHE . 11.8 p-10 -59.22 78.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -107.01 71.75 0.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.57 ' HB3' ' N ' ' A' ' 114' ' ' PHE . 2.4 p-10 -128.4 -152.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.602 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 2.9 m-20 -170.21 -173.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 108' ' ' ASN . 5.7 t -177.82 -149.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.445 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.588 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 64.5 t30 50.39 16.61 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.588 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 9.6 tt0 153.73 -20.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.602 ' CD2' ' HB2' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -95.84 -167.37 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.408 ' H ' ' H ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -163.2 -17.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.567 ' O ' ' HB2' ' A' ' 105' ' ' ASP . 13.8 t-160 -53.2 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.805 ' HB3' HG21 ' A' ' 53' ' ' VAL . . . -50.02 -179.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.821 ' HZ ' HD23 ' A' ' 50' ' ' LEU . 44.7 p90 -102.95 165.64 10.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -107.75 144.07 35.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.839 HG23 HG12 ' A' ' 101' ' ' ILE . 2.6 mp -118.81 156.59 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 100' ' ' GLN . 56.5 mt -148.18 103.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.039 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -106.64 176.15 5.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.519 ' CB ' ' CD1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -51.49 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 6.4 m-20 60.87 13.06 4.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 49.51 72.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 1.0 OUTLIER -139.2 141.71 37.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.559 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -119.5 159.49 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.546 ' HB ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -142.96 178.85 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.496 ' CG2' ' HB ' ' A' ' 53' ' ' VAL . 6.9 mt -142.81 84.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 1.161 ' CZ ' HD11 ' A' ' 61' ' ' ILE . 8.6 m-85 -96.56 136.42 37.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.628 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -108.24 126.74 53.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.074 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -111.78 140.63 46.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -114.63 13.48 17.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.47 ' CB ' ' HG3' ' A' ' 133' ' ' GLU . 1.2 m -130.72 113.68 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.491 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -47.63 -35.59 9.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -74.25 -38.87 63.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.805 ' O ' ' N ' ' A' ' 137' ' ' TRP . 29.1 mt-10 -62.54 -48.26 80.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.543 ' O ' ' HG2' ' A' ' 138' ' ' MET . 10.2 ptmt -53.87 -44.64 70.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.1 t30 -70.11 -46.28 65.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -75.94 -15.22 60.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.074 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 29.0 m0 -80.14 -40.96 26.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 108.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.627 ' HA ' HG21 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -89.8 -35.21 15.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -61.81 -46.76 88.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -56.04 -49.2 74.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.662 HD23 ' CG2' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -66.1 -47.65 73.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.525 HG12 HG22 ' A' ' 101' ' ' ILE . 13.8 mm -61.49 -22.53 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 139' ' ' ALA . 5.9 t -69.36 -38.49 78.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.068 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.974 HD11 HD13 ' A' ' 63' ' ' LEU . 82.5 mt -68.75 -62.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.522 ' HB2' HG22 ' A' ' 99' ' ' VAL . 40.5 tp60 -47.06 -22.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.861 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.9 OUTLIER -82.39 -40.05 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -77.21 51.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.629 1.206 . . . . 0.0 110.345 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.35 33.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -179.55 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.861 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER -83.38 -157.62 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.633 ' N ' HD12 ' A' ' 150' ' ' LEU . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.468 0.175 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.573 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 7.7 p30 -69.16 -33.06 72.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 4.8 pt-20 -91.31 -7.13 51.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.371 1.044 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.737 HG23 HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -106.4 -32.89 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' MET . 0.6 OUTLIER -47.24 -26.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' CD ' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -116.98 42.19 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.601 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m-20 -148.3 -30.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.064 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -56.37 -161.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -145.69 -84.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -104.19 8.95 49.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.579 1.175 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 34.4 t-105 29.88 48.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 31' ' ' GLY . 1.4 tt0 39.65 -153.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 33' ' ' GLU . . . -59.63 -125.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -114.89 91.11 3.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.441 ' OD2' ' CD1' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -106.46 150.77 25.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -153.48 -46.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.459 ' HA2' ' CB ' ' A' ' 42' ' ' ASN . . . 164.61 40.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -102.16 -20.81 14.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' O ' ' HA3' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -173.81 40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 108.376 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 42' ' ' ASN . 2.1 p 165.51 97.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 108.33 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.459 ' CB ' ' HA2' ' A' ' 38' ' ' GLY . 47.1 t30 172.48 32.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -108.34 0.91 21.49 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' CZ ' ' HB3' ' A' ' 22' ' ' MET . 11.3 m-85 33.57 62.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.876 HD12 HD21 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -42.69 -65.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.59 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -138.24 135.51 35.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.598 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 1.9 mp0 -115.2 115.93 27.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -163.74 163.32 35.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.413 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.3 OUTLIER -115.79 121.45 42.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 0.744 . . . . 0.0 110.414 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 HG13 ' A' ' 61' ' ' ILE . 3.8 mp -112.79 144.89 41.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -100.84 144.37 29.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.403 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.7 ttp85 -93.35 102.53 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.845 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -77.67 71.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.715 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -149.72 7.09 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 159.87 39.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 0.722 . . . . 0.0 109.352 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 55' ' ' ALA . 4.6 pttm 44.39 75.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -137.71 144.62 41.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 24.9 mt-10 -114.41 163.24 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -160.82 126.24 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.64 101.9 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.634 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.899 HG13 HD13 ' A' ' 50' ' ' LEU . 27.8 mm -78.98 143.15 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CD2' ' O ' ' A' ' 61' ' ' ILE . 17.1 m-85 -164.4 89.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -87.95 130.71 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.931 ' O ' ' N ' ' A' ' 66' ' ' GLY . 5.1 m-85 -115.45 73.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.481 ' CA ' HG13 ' A' ' 45' ' ' ILE . 25.2 t0 38.76 -71.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.931 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -36.14 -44.39 0.78 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -175.08 156.3 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.64 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -87.07 121.53 29.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 91' ' ' LYS . 29.1 mm -107.75 141.8 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 4.6 m -125.49 122.3 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 108.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.3 m -89.8 138.12 31.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -87.84 112.72 22.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.564 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.2 t -117.42 100.33 7.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -89.18 -11.22 44.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.448 ' CG ' ' N ' ' A' ' 76' ' ' GLY . 0.0 OUTLIER 79.34 -54.73 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.593 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 78' ' ' PRO . . . -35.87 133.12 0.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' GLY . 0.8 OUTLIER -34.84 95.78 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.777 . . . . 0.0 110.322 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.4 Cg_endo -74.98 -169.11 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 1.8 tmt_? 82.82 14.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.1 mt -61.68 -45.22 93.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.99 -0.73 10.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . 90.05 -68.84 2.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.609 1.193 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 82' ' ' GLY . . . 35.89 -150.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.6 0.823 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.25 93.86 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.487 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 6.7 m-20 64.9 92.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.064 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 176.42 49.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 86' ' ' ALA . 20.8 mt-10 -34.25 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 11.2 m-30 -108.9 -168.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.451 ' HG3' ' CB ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -142.76 118.33 10.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.694 HD22 ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.38 156.44 10.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.655 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.1 tppt? -140.06 151.77 45.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.49 120.96 30.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.622 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -139.97 79.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -62.48 80.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.922 ' CE1' HD22 ' A' ' 118' ' ' LEU . 3.1 m-85 -90.67 -37.66 13.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.569 ' HA ' HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -50.61 -17.71 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' PHE . 19.8 ttt180 -83.47 -52.65 6.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' C ' HG13 ' A' ' 99' ' ' VAL . 4.8 tttt -175.98 141.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.716 HG21 HD23 ' A' ' 141' ' ' LEU . 4.2 m -151.33 -177.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -160.03 79.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.862 HG12 HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -74.0 112.02 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -112.5 81.63 1.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.612 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 5.6 p-10 -78.36 113.28 16.21 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -129.75 75.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.264 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.91 178.42 4.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.767 ' O ' ' N ' ' A' ' 108' ' ' ASN . 44.9 m-20 -146.87 14.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER 14.83 -76.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.767 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -32.58 -32.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.6 tt0 -113.05 -28.55 7.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.584 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.7 m-30 -109.53 -166.28 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.739 ' O ' HG22 ' A' ' 107' ' ' THR . 0.2 OUTLIER -82.33 -95.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.54 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 1.5 t60 -175.33 78.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.614 ' HB1' ' O ' ' A' ' 126' ' ' PHE . . . -158.46 164.27 36.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.612 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -143.03 164.14 30.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.591 ' C ' HD13 ' A' ' 116' ' ' ILE . 1.9 mt-10 -93.64 129.3 39.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.862 HD12 HG12 ' A' ' 101' ' ' ILE . 1.5 mm -110.38 156.6 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 100' ' ' GLN . 84.5 mt -147.8 129.65 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.922 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -122.48 136.99 55.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.362 1.039 . . . . 0.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.479 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -40.74 -30.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.5 OUTLIER -45.23 -22.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 4.9 tt0 91.18 39.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -146.23 154.23 41.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.392 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 92.3 p -120.39 164.39 16.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.67 173.28 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.824 HG22 ' HB ' ' A' ' 53' ' ' VAL . 4.8 mp -138.87 79.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.626 ' CD2' HD22 ' A' ' 50' ' ' LEU . 4.3 m-85 -69.69 153.43 43.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.599 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -139.14 103.58 4.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.114 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -102.64 163.36 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.56 -5.7 9.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.536 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -111.72 118.22 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -49.25 -29.42 5.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -76.36 -42.52 44.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.696 ' O ' ' N ' ' A' ' 137' ' ' TRP . 7.5 mm-40 -59.52 -44.58 93.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 11.4 pttt -59.22 -40.51 86.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 138' ' ' MET . 0.7 OUTLIER -75.79 -39.01 57.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -79.83 -17.57 52.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.114 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 35.8 m0 -78.22 -47.38 18.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 108.038 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.455 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -74.82 -46.91 33.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 111.059 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.455 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -55.36 -44.54 76.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.502 ' HB2' ' SD ' ' A' ' 46' ' ' MET . . . -58.9 -37.96 77.81 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.716 HD23 HG21 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -70.77 -52.62 19.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.528 HG12 HG22 ' A' ' 101' ' ' ILE . 25.6 mm -64.31 -20.9 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 139' ' ' ALA . 45.0 t -71.11 -38.41 72.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.085 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.876 HD21 HD12 ' A' ' 45' ' ' ILE . 22.9 mt -67.71 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.596 ' HB2' HG22 ' A' ' 99' ' ' VAL . 7.7 tm0? -45.7 -24.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.788 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.2 OUTLIER -72.34 -29.19 63.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -85.79 42.9 1.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 110.199 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.98 38.87 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.021 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 176.8 -35.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER -92.78 -160.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.731 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' GLN . 4.8 mtp . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.565 0.222 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.401 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 14.6 p-10 -72.15 -31.52 66.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -92.94 -11.37 33.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.564 HD11 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -101.53 -33.23 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 22' ' ' MET . 1.2 mm-40 -53.58 -21.31 6.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -98.0 51.02 1.03 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.511 ' O ' ' O ' ' A' ' 29' ' ' ILE . 6.3 t30 -173.61 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.08 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.2 pp -54.58 -158.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -141.49 -77.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.554 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -108.03 9.19 36.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 7.9 t-105 30.65 76.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.508 ' OE1' HD21 ' A' ' 90' ' ' LEU . 1.7 mp0 -47.59 167.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 59.01 149.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -41.62 26.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.884 ' C ' HD12 ' A' ' 37' ' ' ILE . 8.9 p-10 -165.15 130.92 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.884 HD12 ' C ' ' A' ' 36' ' ' ASP . 4.4 mp -151.51 -44.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' CYS . . . -45.35 -23.83 0.86 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' ILE . 8.0 mt-30 -83.67 -44.75 14.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.92 -22.57 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' GLY . 28.9 p -179.64 -135.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.506 ' CA ' ' HB3' ' A' ' 64' ' ' PHE . 1.4 m-20 54.13 35.53 22.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.564 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -67.02 102.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.608 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -21.38 94.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.625 HG22 ' CG ' ' A' ' 46' ' ' MET . 0.6 OUTLIER -70.43 -74.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.76 ' HB2' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -133.85 139.5 46.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -115.21 135.49 54.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.87 170.97 43.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.095 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.794 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -123.92 114.67 20.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 110.405 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.896 HD13 HG13 ' A' ' 61' ' ' ILE . 3.4 mp -113.15 144.01 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -102.38 148.14 25.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.436 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.542 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.1 ttt180 -95.11 104.78 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.855 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.1 t -81.38 73.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.729 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -160.9 23.88 0.25 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 160.22 -20.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 16.9 tttp 94.2 77.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' ' HB3' ' A' ' 55' ' ' ALA . 89.2 m-70 -140.79 149.96 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' SER . 39.7 tt0 -122.38 157.52 31.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.483 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 1.7 ptp85 -160.99 137.68 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.794 ' HA ' HG23 ' A' ' 49' ' ' THR . 2.5 t60 -83.71 89.83 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.665 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.896 HG13 HD13 ' A' ' 50' ' ' LEU . 34.2 mm -59.97 146.5 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 109.228 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -161.04 84.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.76 HD21 ' HB2' ' A' ' 46' ' ' MET . 0.6 OUTLIER -76.56 128.55 34.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 16.8 m-85 -103.88 153.77 20.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 1.7 t0 -72.88 57.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 172.53 -30.39 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.563 HD22 ' CB ' ' A' ' 94' ' ' PHE . 24.5 mt -158.45 129.52 6.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.705 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -85.5 109.58 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.948 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 62' ' ' PHE . 1.2 tp -99.15 165.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -152.08 91.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.259 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 60' ' ' HIS . 5.3 m -67.64 110.96 3.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 108.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -71.53 161.86 30.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.627 ' CB ' ' CE2' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -158.35 110.5 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -113.85 -70.04 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.8 -168.56 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.622 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.45 106.0 0.19 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.497 ' CB ' ' HD3' ' A' ' 78' ' ' PRO . 2.3 mt-30 -79.85 -57.01 0.71 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.51 0.771 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -74.98 143.05 28.66 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -173.56 19.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.589 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -76.98 -47.13 2.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.0 Cg_endo -74.98 -0.18 9.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.53 107.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 85' ' ' ASN . . . -79.72 56.8 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 0.801 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 85' ' ' ASN . 0.2 OUTLIER 45.12 26.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.065 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 83' ' ' ALA . 3.4 m-80 47.13 94.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.08 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -178.77 47.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -35.69 -38.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.627 ' CE2' ' CB ' ' A' ' 73' ' ' SER . 4.3 m-85 -89.74 178.81 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -131.73 108.68 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.985 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.32 126.0 25.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.491 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -114.44 122.3 46.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 122.42 19.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 68' ' ' MET . 0.1 OUTLIER -139.6 77.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.676 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 45.0 p90 -82.83 75.79 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.705 ' CE1' ' HB3' ' A' ' 68' ' ' MET . 44.7 p90 -128.25 -15.82 4.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.982 ' HB2' HD13 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -38.64 -39.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 111.075 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.546 ' N ' ' HG2' ' A' ' 96' ' ' MET . 2.2 ttm180 -52.11 -18.43 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -173.63 99.57 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.664 HG12 ' CD2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -118.08 -178.99 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.547 ' N ' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -166.43 108.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.528 HG21 ' HA ' ' A' ' 138' ' ' MET . 0.1 OUTLIER -95.8 141.93 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.498 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -137.16 93.35 2.82 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.733 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 18.3 p-10 -62.63 80.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -102.94 93.24 4.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.652 ' CB ' ' O ' ' A' ' 113' ' ' ALA . 3.2 t70 175.48 -149.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.566 ' C ' ' HB2' ' A' ' 110' ' ' TYR . 0.3 OUTLIER 178.2 -160.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.988 HG22 ' O ' ' A' ' 111' ' ' LYS . 1.7 p -147.46 -57.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.474 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -45.66 -24.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.597 ' HG2' ' CE1' ' A' ' 110' ' ' TYR . 14.8 tt0 -131.05 -2.4 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 109' ' ' GLU . 4.7 m-85 -137.81 -168.1 2.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.988 ' O ' HG22 ' A' ' 107' ' ' THR . 0.6 OUTLIER -86.78 -93.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.547 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 0.9 OUTLIER -179.87 79.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.532 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.652 ' O ' ' CB ' ' A' ' 105' ' ' ASP . . . -152.9 -174.57 4.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.733 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -170.34 163.1 8.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.551 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -94.25 130.6 40.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.593 HG13 ' CD2' ' A' ' 126' ' ' PHE . 1.0 OUTLIER -103.18 167.13 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 100' ' ' GLN . 38.6 mt -153.25 104.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.682 ' HB2' ' CG ' ' A' ' 95' ' ' PHE . 2.2 pp -111.1 163.59 13.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -49.34 -178.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.68 12.12 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 53.23 79.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.504 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -153.11 129.13 10.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.36 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.6 p -110.71 157.08 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.051 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.6 t -137.16 174.36 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.696 HG22 ' HB ' ' A' ' 53' ' ' VAL . 28.2 mt -135.51 78.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.615 ' CD1' ' CB ' ' A' ' 50' ' ' LEU . 3.2 m-85 -71.81 152.56 42.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -134.27 102.63 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.935 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.062 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.03 152.59 20.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -9.86 12.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.5 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -110.78 117.01 32.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.37 -34.45 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -70.44 -39.26 74.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.721 ' O ' ' N ' ' A' ' 137' ' ' TRP . 6.4 mm-40 -60.96 -46.13 91.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -56.17 -44.44 79.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.2 t-20 -70.68 -42.63 70.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.7 OUTLIER -76.45 -16.82 59.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.062 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 36.6 m0 -80.61 -43.56 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -84.31 -35.74 23.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 111.019 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -64.45 -43.71 93.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.35 80.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.401 HD22 ' HB ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -72.05 -47.26 52.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.533 HG22 ' CE2' ' A' ' 146' ' ' TYR . 37.1 mm -65.76 -19.79 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -45.63 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.982 HD13 ' HB2' ' A' ' 96' ' ' MET . 53.3 mt -65.75 -59.15 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.448 ' CB ' ' H ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -50.35 -22.81 1.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.802 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -78.4 -36.22 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 51.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.02 29.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -177.52 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.802 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.6 pp -78.64 -1.79 35.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.526 0.203 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 1.4 p30 -70.88 -62.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -54.94 -18.73 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.875 HD11 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -83.36 -36.75 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.518 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -55.67 -25.85 41.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -101.29 33.85 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.598 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 1.2 t-20 -164.72 23.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.84 HG22 ' HB3' ' A' ' 90' ' ' LEU . 1.7 pp -110.46 -126.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -172.82 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.522 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -86.97 -10.23 72.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.522 ' C ' ' O ' ' A' ' 31' ' ' GLY . 11.7 t-105 32.17 89.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 32' ' ' TRP . 3.0 mm-40 -33.92 152.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . -59.38 -140.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 14.7 mmtt 78.9 -115.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 0.775 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.769 ' C ' HD12 ' A' ' 37' ' ' ILE . 9.4 m-20 149.01 42.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.769 HD12 ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 40.8 90.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.64 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 135.99 -9.7 4.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.563 1.164 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.51 ' CD ' ' N ' ' A' ' 39' ' ' GLN . 10.7 mp0 -101.07 -40.71 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 50.0 t -145.41 17.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 108.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.68 ' O ' ' CB ' ' A' ' 42' ' ' ASN . 1.5 m -171.07 169.19 6.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 0.0 108.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.68 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 6.7 t30 138.34 -4.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 44' ' ' PHE . 2.1 mm-40 -117.82 40.69 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.645 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 6.0 p90 -26.01 113.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.571 HG12 ' N ' ' A' ' 65' ' ' ASP . 18.3 mm -56.93 -67.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.377 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ptm -143.68 143.79 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.16 127.98 54.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.237 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.6 167.94 41.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.578 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -117.78 119.1 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.434 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.868 HD13 HG13 ' A' ' 61' ' ' ILE . 4.5 mp -111.64 137.92 48.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.438 HG22 ' HB2' ' A' ' 127' ' ' SER . 1.0 OUTLIER -85.49 140.08 30.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.2 OUTLIER -94.42 98.18 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.097 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.2 t -84.85 70.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -147.83 1.58 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 173.04 34.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.724 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 0.2 OUTLIER 48.38 79.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 51.2 m-70 -163.39 146.71 10.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.557 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.93 173.82 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -163.04 143.66 9.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.578 ' HA ' HG23 ' A' ' 49' ' ' THR . 3.5 t-160 -89.4 100.73 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.868 HG13 HD13 ' A' ' 50' ' ' LEU . 23.5 mm -77.56 147.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.875 ' CD2' HD11 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -160.45 94.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.931 HD21 ' CD1' ' A' ' 144' ' ' LEU . 19.9 tp -80.76 115.29 20.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.771 ' CE2' HG21 ' A' ' 69' ' ' ILE . 15.8 m-30 -95.53 146.64 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.571 ' N ' HG12 ' A' ' 45' ' ' ILE . 14.8 t0 -57.98 -14.13 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.4 -39.55 4.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.756 HD22 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -175.53 151.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.593 ' O ' HD12 ' A' ' 67' ' ' LEU . 20.7 ttt -82.45 140.78 33.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.771 HG21 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -142.86 150.49 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.66 ' SG ' HD12 ' A' ' 61' ' ' ILE . 50.4 m -138.84 123.75 18.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 108.25 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -96.94 140.84 30.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 89' ' ' ARG . 4.3 ptmm? -88.3 133.46 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.377 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.579 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 12.5 p -134.21 124.59 26.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.01 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 m120 -128.05 154.03 46.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 67.79 -71.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.653 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' ASN . . . 101.97 127.1 6.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -113.71 164.48 15.82 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -167.34 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 82' ' ' GLY . 3.0 mtt-85 64.88 24.05 12.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.6 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.5 mt -53.05 -46.28 97.75 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.95 -0.97 10.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ARG . . . -156.11 57.82 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.53 156.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.732 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 88.6 p -160.96 46.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.075 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' A' ' 27' ' ' LYS . 2.2 m-20 158.69 134.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.575 ' CB ' HD12 ' A' ' 29' ' ' ILE . . . -80.94 42.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 86' ' ' ALA . 15.7 mt-10 -33.28 -50.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.598 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 18.9 m-30 -64.0 -167.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.507 ' HB2' ' CG ' ' A' ' 72' ' ' LYS . 4.7 mtm180 -147.06 105.72 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.84 ' HB3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -63.89 146.6 53.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -122.26 144.83 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.599 1.187 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 6.5 pt-20 -89.18 112.52 23.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.623 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 11.9 mttp -121.71 74.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.756 ' CZ ' HD22 ' A' ' 67' ' ' LEU . 55.0 m-85 -65.77 75.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 1.033 ' CE2' HD13 ' A' ' 118' ' ' LEU . 5.6 m-85 -135.01 1.16 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.456 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -56.52 -13.87 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 111.022 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.443 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -97.79 -8.21 28.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.238 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -174.47 129.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.765 HG22 ' HB3' ' A' ' 145' ' ' GLN . 4.3 m -148.55 -178.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.4 mt-30 -164.93 80.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.595 HD11 ' CE2' ' A' ' 114' ' ' PHE . 0.2 OUTLIER -75.87 137.58 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 115' ' ' GLU . 2.2 t-20 -134.58 79.45 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.894 ' HA ' ' HB2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -61.6 83.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -94.25 86.07 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -148.33 164.52 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.843 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -141.57 15.57 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.67 HG21 ' CE1' ' A' ' 112' ' ' HIS . 2.9 p 17.9 -73.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.442 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.843 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.9 m120 -33.05 -30.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.37 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.619 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.6 tt0 -114.14 -27.69 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CD1' ' HB2' ' A' ' 106' ' ' ASP . 9.0 m-85 -109.77 -167.6 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -82.96 -90.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.67 ' CE1' HG21 ' A' ' 107' ' ' THR . 0.2 OUTLIER -175.47 76.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.623 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.972 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -164.24 158.07 18.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.894 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 14.1 p90 -142.35 176.66 8.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -108.96 127.71 54.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.238 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 116' ' ' ILE . 3.6 mp -102.53 164.2 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.456 ' N ' HG22 ' A' ' 116' ' ' ILE . 48.1 mt -152.93 103.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.033 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -103.73 158.28 16.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -46.63 174.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.43 0.87 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.27 80.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -157.26 135.13 10.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.386 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 30.4 p -116.37 165.77 12.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.599 ' HB ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -143.22 178.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.814 HG21 ' O ' ' A' ' 53' ' ' VAL . 5.3 mp -138.83 82.91 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.703 ' CD2' HD22 ' A' ' 50' ' ' LEU . 5.8 m-30 -83.78 165.97 18.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.972 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -145.1 100.26 3.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.191 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -98.53 141.97 30.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -6.1 13.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.526 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 1.4 m -107.68 112.43 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.17 -35.32 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -73.53 -45.28 54.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.728 ' O ' ' N ' ' A' ' 137' ' ' TRP . 10.0 mm-40 -59.2 -44.38 92.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.5 OUTLIER -56.93 -42.33 79.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.579 ' O ' ' HE2' ' A' ' 138' ' ' MET . 36.0 t-20 -75.36 -41.41 56.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.0 OUTLIER -76.98 -15.74 59.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.221 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.191 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 35.5 m0 -81.2 -40.48 23.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 108.053 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.579 ' HE2' ' O ' ' A' ' 135' ' ' ASN . 0.3 OUTLIER -89.32 -36.23 15.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.047 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -64.54 -46.05 84.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.53 -46.74 77.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.579 HD11 ' CE ' ' A' ' 68' ' ' MET . 1.5 mp -67.01 -43.27 83.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.661 HD13 ' HG2' ' A' ' 145' ' ' GLN . 2.9 mm -67.97 -18.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 139' ' ' ALA . 19.2 t -71.54 -41.17 69.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.931 ' CD1' HD21 ' A' ' 63' ' ' LEU . 18.4 mt -71.66 -62.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.765 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -49.48 -21.51 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.542 ' CE1' HG23 ' A' ' 142' ' ' ILE . 0.4 OUTLIER -70.14 -27.74 64.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -93.32 17.84 10.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.91 30.23 4.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.74 -40.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 151' ' ' GLU . 0.9 OUTLIER -101.41 -160.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.703 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.675 ' N ' ' HB ' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.53 0.205 . . . . 0.0 111.054 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.439 ' N ' ' CG ' ' A' ' 22' ' ' MET . 1.4 p30 -68.73 -58.62 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -67.89 -5.52 17.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.966 HD11 ' CG ' ' A' ' 62' ' ' PHE . 2.2 mt -106.22 -31.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.427 1.079 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 22' ' ' MET . 1.1 mm-40 -66.68 -33.8 76.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' CE ' ' HB3' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -102.95 57.69 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.651 ' ND2' ' CD2' ' A' ' 88' ' ' TYR . 1.1 t-20 -173.37 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.078 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.6 pp -52.97 -156.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.533 ' HB3' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -136.65 -71.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.552 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -115.93 8.02 19.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 111.063 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.552 ' C ' ' O ' ' A' ' 31' ' ' GLY . 8.9 t-105 30.96 84.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.21 154.76 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.681 ' C ' HD11 ' A' ' 37' ' ' ILE . . . 61.06 143.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -80.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 0.75 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -117.65 110.52 17.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.681 HD11 ' C ' ' A' ' 34' ' ' GLY . 3.2 mp -120.71 -25.77 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.73 -11.89 38.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.079 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -102.32 -31.2 10.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 2.3 p -93.36 -12.2 30.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.538 ' N ' ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER 174.64 -150.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.289 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.561 ' OD1' ' CD1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER 63.91 38.99 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.98 48.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER 28.6 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 63' ' ' LEU . 1.1 mm -74.85 -73.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.947 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -125.71 123.77 39.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 4.3 pm0 -110.74 113.12 25.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -168.98 165.46 38.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.401 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -117.49 125.01 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.921 HD13 HG13 ' A' ' 61' ' ' ILE . 3.3 mp -114.9 145.0 42.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.733 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.6 OUTLIER -95.07 124.78 39.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.456 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -77.56 85.08 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.828 HG12 HG21 ' A' ' 125' ' ' ILE . 1.1 t -60.04 174.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.643 ' N ' HG13 ' A' ' 53' ' ' VAL . . . 84.0 -17.92 24.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . -145.66 15.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' ALA . 16.1 tttp 37.89 76.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 13.1 m-70 -147.84 151.24 35.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.561 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 6.6 tt0 -110.88 158.99 18.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -160.74 123.33 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 102.65 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.921 HG13 HD13 ' A' ' 50' ' ' LEU . 43.1 mm -79.41 144.9 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.966 ' CG ' HD11 ' A' ' 25' ' ' ILE . 12.3 m-85 -160.61 79.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.103 HD13 HD11 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -67.85 135.97 53.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.833 ' N ' HD12 ' A' ' 63' ' ' LEU . 17.2 m-85 -111.6 160.41 17.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -65.52 -9.75 28.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.37 -35.63 3.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -177.41 148.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 0.813 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.745 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -74.19 128.11 34.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 111.045 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 62' ' ' PHE . 1.1 tp -112.39 155.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 3.6 m -143.99 106.25 4.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 108.36 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 5.2 m -83.07 123.55 29.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 1.4 mttm -67.11 147.32 53.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 88' ' ' TYR . 17.4 t -151.1 104.9 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -131.71 120.51 22.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.19 109.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 77' ' ' GLN . . . 162.14 -173.96 38.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.544 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 158.92 -48.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -74.99 -171.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.063 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 83.65 21.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.584 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -71.28 -47.5 13.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.06 0.65 8.67 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 84' ' ' SER . . . -117.97 62.01 0.43 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.69 82.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.1 OUTLIER 174.76 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 109.998 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 84' ' ' SER . 3.4 m-20 156.21 127.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.078 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -94.04 41.76 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' ALA . 20.1 mt-10 -34.49 -44.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.651 ' CD2' ' ND2' ' A' ' 28' ' ' ASN . 11.9 m-30 -79.1 179.31 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 111.083 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 15.3 ttp85 -136.26 116.68 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.701 HD22 ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.92 143.66 47.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 5.5 tttp -124.75 146.22 49.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.78 120.26 33.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 19.1 mttt -138.47 86.6 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -58.66 91.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.647 ' HE2' HD11 ' A' ' 141' ' ' LEU . 3.6 m-30 -105.44 -40.41 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.486 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -45.88 -18.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 95' ' ' PHE . 16.0 tpt180 -85.99 -53.11 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 99' ' ' VAL . 11.3 tptt -174.66 144.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.665 HG22 ' HB3' ' A' ' 145' ' ' GLN . 5.1 m -150.44 175.54 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 117' ' ' ILE . 1.3 mt-30 -158.65 101.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.198 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 138' ' ' MET . 0.2 OUTLIER -95.12 141.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.486 ' N ' HG13 ' A' ' 101' ' ' ILE . 1.6 m-80 -130.22 79.98 1.93 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.603 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 19.5 p-10 -61.33 80.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -103.49 73.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 106' ' ' ASP . 0.4 OUTLIER -142.62 -161.42 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.138 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.669 ' C ' HG23 ' A' ' 107' ' ' THR . 3.1 p-10 165.68 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.669 HG23 ' C ' ' A' ' 106' ' ' ASP . 2.7 p 70.37 -5.17 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.433 1.083 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 106' ' ' ASP . 9.7 t-20 -62.4 -7.67 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -153.95 -22.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -110.02 -175.21 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.567 ' HE2' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -70.53 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.567 ' CE1' ' HE2' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -178.98 76.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.56 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 126' ' ' PHE . . . -156.6 158.22 36.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.603 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -128.12 178.24 6.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 111.092 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 22.2 pt-20 -106.19 128.35 53.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.735 ' CD1' ' CD2' ' A' ' 126' ' ' PHE . 1.4 mp -106.94 166.07 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 117' ' ' ILE . 33.0 mt -147.81 78.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.346 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 2.5 pp -79.71 176.57 9.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.481 ' O ' HD12 ' A' ' 118' ' ' LEU . 8.9 tptp -53.84 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 52.69 19.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 43.91 65.46 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -132.83 136.56 46.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -107.36 148.3 29.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.994 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -130.63 178.11 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.828 HG21 HG12 ' A' ' 53' ' ' VAL . 1.8 mp -141.32 85.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.735 ' CD2' ' CD1' ' A' ' 116' ' ' ILE . 3.9 m-85 -80.19 146.05 31.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.733 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -125.0 107.73 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.937 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.076 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -108.77 161.69 14.88 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -129.32 2.14 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.242 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.508 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 1.3 m -114.34 108.66 17.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.058 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 130' ' ' SER . . . -36.64 -39.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.18 -57.78 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.744 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 38.2 mm-40 -44.94 -40.45 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.914 ' HG2' ' HB3' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -62.1 -38.39 88.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.406 1.066 . . . . 0.0 109.38 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 30.8 t-20 -82.63 -37.79 24.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 140' ' ' ALA . 1.3 m-20 -75.19 -26.05 58.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.076 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 38.7 m0 -69.87 -48.55 58.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 1.165 . . . . 0.0 108.042 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.612 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -77.66 -48.89 15.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -53.15 -45.02 68.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 136' ' ' ASN . . . -58.53 -42.89 88.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.647 HD11 ' HE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -63.68 -46.63 84.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.491 HG12 ' CG2' ' A' ' 101' ' ' ILE . 3.5 mm -69.16 -16.68 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.3 t -68.45 -40.98 80.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.103 HD11 HD13 ' A' ' 63' ' ' LEU . 18.0 mt -70.05 -64.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.665 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -45.52 -23.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.908 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -68.42 -30.9 69.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -87.42 46.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.28 35.02 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.03 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.372 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.908 HD23 ' O ' ' A' ' 146' ' ' TYR . 2.1 pp -75.16 -3.21 31.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.536 0.208 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -48.19 68.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.78 -19.07 63.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.61 HG13 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -85.99 -38.47 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.653 ' NE2' ' CD2' ' A' ' 32' ' ' TRP . 2.5 mt-30 -60.61 -34.44 74.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -94.41 32.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.793 ' ND2' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m120 -164.07 24.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 30' ' ' ASP . 1.8 pp -112.29 -127.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.944 ' HB3' HD12 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -164.29 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.538 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -106.59 5.92 38.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.653 ' CD2' ' NE2' ' A' ' 26' ' ' GLN . 13.6 t-105 31.76 76.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' HG3' ' CG ' ' A' ' 92' ' ' GLU . 10.8 mm-40 -44.34 168.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.87 142.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.597 1.186 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.12 21.67 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.793 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER 176.37 -176.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.526 ' CG2' ' CZ2' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -137.16 116.9 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.384 1.052 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.3 -34.65 4.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -73.63 -42.33 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 14.6 p -108.72 -27.63 9.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 42' ' ' ASN . 0.8 OUTLIER 160.29 -169.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 12.9 t-20 83.23 35.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 65' ' ' ASP . 15.4 mt-10 -61.26 -5.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.673 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 3.8 m-85 59.25 116.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.988 HD12 HD21 ' A' ' 144' ' ' LEU . 1.6 mt -105.83 -63.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.814 ' SD ' HD23 ' A' ' 63' ' ' LEU . 17.3 ptt? -125.56 132.92 52.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 2.1 pp20? -123.2 116.68 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -171.0 163.78 36.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.801 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -113.59 125.92 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 110.367 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.822 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -120.82 156.95 30.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.59 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.7 OUTLIER -103.21 122.82 45.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.5 ttt-85 -78.86 92.72 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.54 ' CG1' ' N ' ' A' ' 54' ' ' GLY . 0.9 OUTLIER -62.28 167.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.54 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 100.85 -18.32 55.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . -159.1 24.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.9 pttp 36.78 77.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -137.36 146.03 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.621 1.201 . . . . 0.0 109.635 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 73' ' ' SER . 12.4 tt0 -112.7 154.52 26.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HB3' ' HA ' ' A' ' 72' ' ' LYS . 11.1 ptp180 -163.94 128.46 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.91 96.03 2.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.629 1.205 . . . . 0.0 109.643 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.793 ' CG1' HD13 ' A' ' 50' ' ' LEU . 38.6 mm -69.05 152.47 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.673 ' CE1' ' CD1' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -170.59 89.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.081 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.13 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -75.02 123.33 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.625 ' CE2' HG21 ' A' ' 69' ' ' ILE . 9.9 m-30 -98.31 148.21 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 43' ' ' GLU . 6.7 t0 -57.08 -12.69 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.703 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -95.32 -41.73 3.89 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.96 HD13 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -175.84 150.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.356 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -67.64 134.19 50.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.814 HD13 ' N ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -137.69 133.44 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.814 ' N ' HD13 ' A' ' 69' ' ' ILE . 31.0 p -125.53 130.56 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.316 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 10.9 m -93.77 114.75 27.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -66.29 128.71 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.376 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.615 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 16.8 t -126.58 139.93 52.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -163.67 37.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.87 -88.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.604 ' O ' ' CE1' ' A' ' 88' ' ' TYR . . . -165.26 -178.42 38.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 1.4 pt20 -135.02 78.09 54.46 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.428 ' CG ' ' OE2' ' A' ' 87' ' ' GLU . 18.1 Cg_endo -74.97 144.04 29.87 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 ttp85 -157.67 16.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 7.7 mt -66.72 -44.43 53.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -74.98 -2.18 12.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 81' ' ' PRO . . . 34.14 85.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' SER . . . 179.67 173.76 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 49.0 m -37.83 142.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.959 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 84' ' ' SER . 2.5 m-20 156.18 86.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . -103.06 54.24 0.76 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 86' ' ' ALA . 32.5 mt-10 -30.47 -57.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.793 ' CD2' ' ND2' ' A' ' 28' ' ' ASN . 11.2 m-30 -64.86 -168.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.46 ' HB3' ' CG ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -146.96 115.98 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.07 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.3 153.86 17.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -138.07 109.91 7.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 1.3 mt-10 -69.04 130.47 42.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -134.03 76.65 1.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.96 ' CD1' HD13 ' A' ' 67' ' ' LEU . 2.0 m-85 -71.6 71.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.685 ' HD2' HD22 ' A' ' 118' ' ' LEU . 2.0 m-85 -138.6 -2.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.81 ' HB2' HD13 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -46.85 -40.82 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.444 ' N ' ' HG2' ' A' ' 96' ' ' MET . 46.4 ttt180 -64.27 -4.24 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' HG3' ' CB ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -171.19 101.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 95' ' ' PHE . 1.2 m -136.84 170.04 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.9 OUTLIER -151.86 122.51 7.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.553 HD12 ' CG1' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -116.26 138.52 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 115' ' ' GLU . 1.1 m120 -137.79 111.12 7.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -79.38 93.59 5.37 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.21 88.45 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -172.61 -149.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.517 ' C ' HG23 ' A' ' 107' ' ' THR . 1.3 t0 -158.09 -160.57 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.649 ' CG2' ' CG ' ' A' ' 112' ' ' HIS . 45.4 p -156.94 -144.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.582 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 0.7 OUTLIER 38.62 29.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.582 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 4.6 tt0 153.55 -25.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -105.24 -174.61 2.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.7 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -111.53 102.44 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.649 ' CG ' ' CG2' ' A' ' 107' ' ' THR . 0.2 OUTLIER -51.09 75.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.623 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.932 ' HB1' HG22 ' A' ' 125' ' ' ILE . . . -104.74 143.52 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.648 ' CD1' ' N ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -117.04 132.89 56.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.055 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.587 ' HA ' HD13 ' A' ' 125' ' ' ILE . 1.2 pt-20 -79.65 90.65 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.699 ' CD1' ' CD2' ' A' ' 126' ' ' PHE . 2.6 mp -77.73 158.55 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.582 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 26.3 mt -155.15 104.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.691 HD12 ' HB3' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -80.85 142.24 33.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.468 ' CB ' ' HG3' ' A' ' 98' ' ' LYS . 1.4 tmtt? -41.39 -28.84 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.646 ' CG ' ' CE1' ' A' ' 95' ' ' PHE . 8.1 t0 -51.21 -17.9 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 0.7 OUTLIER 92.27 16.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.691 ' HB3' HD12 ' A' ' 118' ' ' LEU . 25.0 t30 -102.69 167.47 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.609 1.193 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.44 ' C ' ' CG2' ' A' ' 124' ' ' VAL . 2.5 p -132.96 162.75 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.865 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -153.64 174.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.932 HG22 ' HB1' ' A' ' 113' ' ' ALA . 3.7 mm -143.59 82.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.699 ' CD2' ' CD1' ' A' ' 116' ' ' ILE . 22.3 m-30 -78.96 113.73 17.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.59 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -97.26 111.14 23.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.144 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -100.61 166.96 10.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.611 1.195 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -128.28 0.44 5.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.532 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 4.4 t -118.92 118.02 30.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.387 1.054 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 134' ' ' LYS . . . -48.3 -33.5 8.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -74.08 -45.15 51.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.242 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.691 ' O ' ' N ' ' A' ' 137' ' ' TRP . 9.4 mm-40 -62.15 -41.21 98.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -59.16 -38.37 79.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 5.8 t30 -80.24 -40.49 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.2 m-20 -77.13 -16.72 59.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.144 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 32.8 m0 -79.74 -44.62 20.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.538 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -82.92 -43.04 16.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.094 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -57.52 -46.84 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.456 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -55.3 -45.66 76.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.463 HD22 HG23 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -64.96 -49.99 68.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.443 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 1.1 mm -66.52 -17.31 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -68.18 -40.56 82.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.13 HD11 ' CD1' ' A' ' 63' ' ' LEU . 89.5 mt -71.42 -60.41 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -47.9 -22.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.544 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -73.51 -25.56 60.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.4 ttt85 -84.19 8.86 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.83 31.47 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -38.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 151' ' ' GLU . 0.9 OUTLIER -105.73 -158.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.63 ' N ' HD12 ' A' ' 150' ' ' LEU . 1.5 mt-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 27.8 mmm . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.494 0.188 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.417 ' ND2' ' H ' ' A' ' 24' ' ' GLU . 1.4 p-10 -70.58 -62.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -56.37 -19.02 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.83 -37.42 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.476 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 3.7 mt-30 -57.77 -17.95 18.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -89.55 11.14 20.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.387 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.542 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 6.4 m-20 -128.4 -30.48 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.081 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.7 pp -56.08 -149.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.584 ' N ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -149.77 -68.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -118.24 12.31 12.72 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.638 ' C ' ' O ' ' A' ' 31' ' ' GLY . 41.1 t-105 21.04 -95.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER 178.13 -148.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' O ' ' OD1' ' A' ' 36' ' ' ASP . . . -53.64 -166.42 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.475 ' HG3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -68.5 -8.44 41.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.597 ' OD1' ' CD1' ' A' ' 32' ' ' TRP . 0.0 OUTLIER 60.99 133.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.771 HG22 ' O ' ' A' ' 37' ' ' ILE . 4.2 mp -143.68 39.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.411 ' HA2' ' ND2' ' A' ' 42' ' ' ASN . . . 42.04 36.05 1.83 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -106.92 -25.67 11.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' C ' ' HA3' ' A' ' 66' ' ' GLY . 1.6 m -142.16 31.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 p 167.54 92.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 108.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.411 ' ND2' ' HA2' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -166.21 29.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 45' ' ' ILE . 2.9 tp10 -171.54 75.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.611 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 32.3 p90 -45.95 94.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.69 HD11 ' OD1' ' A' ' 65' ' ' ASP . 4.1 mm -40.86 -56.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.641 ' CE ' HD23 ' A' ' 63' ' ' LEU . 2.3 ptt? -133.98 148.72 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.15 113.73 16.76 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -165.35 163.54 36.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.698 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -112.75 130.88 55.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.381 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.825 HD23 ' CE3' ' A' ' 137' ' ' TRP . 0.9 OUTLIER -127.61 160.95 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -115.65 125.51 52.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.389 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.2 OUTLIER -83.16 104.06 13.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.6 t -83.87 72.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.674 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -151.59 9.53 0.67 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 164.61 39.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 45.96 75.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.536 ' CD2' ' HD2' ' A' ' 72' ' ' LYS . 5.6 m-70 -133.07 135.45 45.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.609 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -143.73 138.22 28.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.752 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -175.86 -174.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.693 ' O ' HD13 ' A' ' 61' ' ' ILE . 4.0 m80 -91.93 151.42 20.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.818 HD12 ' CB ' ' A' ' 70' ' ' CYS . 37.5 mm -126.26 128.31 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.448 ' O ' ' O ' ' A' ' 69' ' ' ILE . 3.6 m-85 -131.96 111.89 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.043 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -96.9 117.59 31.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.678 ' CE2' HG21 ' A' ' 69' ' ' ILE . 15.5 m-30 -87.3 150.46 23.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.69 ' OD1' HD11 ' A' ' 45' ' ' ILE . 2.2 t0 -67.41 0.75 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -111.17 -31.98 2.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.691 HD13 ' CA ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -172.13 138.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 109.252 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.617 ' N ' HD12 ' A' ' 67' ' ' LEU . 2.2 ttp -76.77 121.19 22.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.831 HG13 HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -126.56 145.72 33.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.818 ' CB ' HD12 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -136.61 126.56 25.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 108.257 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.752 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 6.0 p -100.51 102.98 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -93.32 150.53 20.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 109.233 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.637 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 7.1 t -146.89 165.71 28.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' HIS . 4.1 t-20 -115.44 32.29 6.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 74' ' ' ASN . 5.3 t60 36.83 70.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.603 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.402 ' HA3' ' NH1' ' A' ' 79' ' ' ARG . . . -84.23 114.45 3.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -42.81 -53.09 10.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 110.324 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -75.01 -165.47 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.565 1.824 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HG2' ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER 70.47 18.41 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.587 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -57.43 -47.09 99.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -74.98 0.54 8.78 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.579 1.831 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.2 94.31 1.29 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . . . -75.3 81.84 2.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.534 0.785 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.619 ' O ' ' ND2' ' A' ' 85' ' ' ASN . 0.2 OUTLIER 81.15 13.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.978 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.696 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 0.5 OUTLIER 60.82 140.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.081 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 84.19 50.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' ALA . 15.9 mt-10 -35.67 -54.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.637 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 0.8 OUTLIER -78.05 -175.73 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -130.21 110.45 11.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.062 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -66.34 142.92 57.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.779 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -120.02 99.57 6.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.29 99.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.514 ' C ' ' CD1' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -106.0 78.97 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.691 ' CA ' HD13 ' A' ' 67' ' ' LEU . 3.4 p90 -78.6 70.64 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.901 ' CD2' HD13 ' A' ' 118' ' ' LEU . 4.3 m-85 -137.87 -6.85 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.978 ' CB ' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -43.83 -42.43 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -16.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -171.99 99.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.775 HG21 ' HG ' ' A' ' 141' ' ' LEU . 1.9 m -122.82 -178.78 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.457 ' O ' ' O ' ' A' ' 117' ' ' ILE . 1.0 OUTLIER -162.74 100.48 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.215 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.979 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -88.61 139.42 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 104' ' ' LYS . 12.1 t30 -123.7 79.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.622 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 21.0 p-10 -62.43 79.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -83.26 76.96 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.24 166.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.755 ' O ' ' N ' ' A' ' 108' ' ' ASN . 1.3 m-20 -178.12 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.643 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 15.32 -77.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.755 ' N ' ' O ' ' A' ' 106' ' ' ASP . 13.4 m-80 -32.25 -32.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.9 tt0 -114.98 -26.16 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.207 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.608 ' CD2' ' HB2' ' A' ' 106' ' ' ASP . 8.8 m-30 -108.76 -168.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -89.67 -80.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 127' ' ' SER . 0.2 OUTLIER -175.69 79.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.55 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.921 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -169.21 167.31 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.622 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -137.12 169.97 16.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.24 124.94 43.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.979 HD12 HD12 ' A' ' 101' ' ' ILE . 2.7 mm -99.56 163.99 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.457 ' O ' ' O ' ' A' ' 100' ' ' GLN . 30.5 mt -151.41 94.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.901 HD13 ' CD2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -103.28 164.63 11.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -47.92 178.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.527 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 28.0 t0 66.64 8.93 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 52.87 74.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -149.96 122.26 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 71.4 p -100.38 150.28 22.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.428 ' C ' HG13 ' A' ' 125' ' ' ILE . 0.9 OUTLIER -125.86 172.32 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.398 1.061 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.685 HG22 ' HB ' ' A' ' 53' ' ' VAL . 3.2 mt -135.65 80.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD2' HG13 ' A' ' 116' ' ' ILE . 4.1 m-85 -79.67 133.46 36.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.921 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 35.8 m -111.67 110.76 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.188 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -116.26 146.21 42.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -111.07 -9.94 14.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.82 110.47 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.8 -35.7 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -69.34 -45.55 69.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.718 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -61.47 -39.3 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 138' ' ' MET . 7.7 ttpt -59.76 -36.97 77.75 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.522 1.139 . . . . 0.0 109.213 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 50.2 t-20 -84.77 -37.5 20.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.3 m-20 -75.61 -24.8 56.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.197 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.188 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 42.3 m0 -72.22 -48.94 39.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.005 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -76.1 -49.21 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -49.66 -43.59 47.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.486 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -60.68 -42.54 97.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.775 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -66.19 -48.48 70.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.429 HG12 ' CG2' ' A' ' 101' ' ' ILE . 5.5 mm -64.55 -20.43 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.52 -36.81 76.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.043 HD11 ' CD1' ' A' ' 63' ' ' LEU . 62.0 mt -70.28 -61.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -22.18 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.216 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.608 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -74.75 -26.96 60.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.94 36.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.04 28.76 8.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.67 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 151' ' ' GLU . 0.9 OUTLIER -91.75 -159.79 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.648 ' N ' HD12 ' A' ' 150' ' ' LEU . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.422 ' CE ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.493 0.187 . . . . 0.0 111.032 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.422 ' OD1' ' CE ' ' A' ' 22' ' ' MET . 2.0 p-10 -68.87 -58.47 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.187 . . . . 0.0 109.223 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -17.26 29.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.763 HG23 HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -90.22 -39.03 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.3 mm-40 -42.81 -29.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.53 53.46 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.639 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 2.9 t-20 -176.13 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.051 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.2 pp -59.63 -151.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -144.08 -74.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -111.22 14.38 28.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.491 ' C ' ' O ' ' A' ' 31' ' ' GLY . 47.8 t-105 35.74 -94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' A' ' 31' ' ' GLY . 1.1 tt0 -173.94 -140.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.6 29.99 2.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 33' ' ' GLU . 8.3 mptt 61.27 22.49 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 0.794 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.46 177.61 7.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -116.9 59.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 41' ' ' CYS . . . 71.52 -1.66 27.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.632 ' O ' ' HB2' ' A' ' 40' ' ' CYS . 29.9 mt-30 77.8 -0.78 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.79 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.632 ' HB2' ' O ' ' A' ' 39' ' ' GLN . 40.8 t 161.27 36.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 108.309 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 42' ' ' ASN . 30.0 p -179.76 119.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 108.324 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 1.6 m-20 150.15 34.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -73.78 -145.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -134.33 95.32 3.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.065 HD12 HD21 ' A' ' 144' ' ' LEU . 3.0 mt -75.51 -67.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.789 ' HG3' HG22 ' A' ' 45' ' ' ILE . 3.1 mtt -139.06 130.11 26.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 62' ' ' PHE . 11.5 pt-20 -109.45 137.5 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.92 162.21 34.39 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.419 1.074 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.565 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -112.22 112.91 24.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.847 HD22 ' CD2' ' A' ' 126' ' ' PHE . 4.1 mp -110.4 136.36 49.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.9 OUTLIER -90.39 130.92 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.439 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.527 ' HG2' HG12 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -86.23 80.71 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.887 HG12 HG21 ' A' ' 125' ' ' ILE . 1.0 OUTLIER -62.19 173.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.741 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . 104.15 10.25 34.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 54' ' ' GLY . . . 89.27 47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.24 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -121.94 -105.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 74' ' ' ASN . 0.2 OUTLIER -174.86 -175.89 0.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 6.8 mt-10 -85.16 164.76 17.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 71' ' ' CYS . 5.9 mtp180 -158.25 132.53 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.565 ' HA ' HG23 ' A' ' 49' ' ' THR . 3.0 t60 -85.36 92.42 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.76 ' CG1' HD13 ' A' ' 50' ' ' LEU . 39.5 mm -67.74 157.24 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.618 ' CD2' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -170.04 84.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.141 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -70.48 123.56 22.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.633 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 14.4 m-30 -100.52 153.14 19.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.487 ' N ' HG13 ' A' ' 45' ' ' ILE . 13.0 t0 -67.59 56.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.621 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 173.51 -41.24 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 66' ' ' GLY . 66.4 mt -164.19 128.76 2.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 0.724 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.664 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -88.2 141.1 28.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.954 HD13 ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -130.89 157.89 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.0 p -128.07 128.79 45.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.326 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 2.5 m -90.13 125.64 35.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.335 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.444 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 4.2 tttp -71.57 103.81 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.585 ' HA ' ' CD1' ' A' ' 88' ' ' TYR . 58.1 m -110.18 107.96 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -122.49 -152.8 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -127.22 113.88 16.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.564 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.27 -165.41 38.77 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 28.7 pt20 -121.77 133.76 24.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.558 0.799 . . . . 0.0 110.295 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.3 Cg_endo -75.01 -170.24 0.75 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.512 1.796 . . . . 0.0 110.96 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER 79.67 15.72 0.88 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 1.3 mt -79.26 -47.15 1.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.06 -0.59 10.17 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.08 75.09 1.28 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.423 1.077 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.485 ' O ' ' CG ' ' A' ' 79' ' ' ARG . . . -169.64 -160.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 0.787 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 5.4 t -170.76 80.23 0.08 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.662 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 6.4 m-20 153.52 146.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.219 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.051 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 81.3 51.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 86' ' ' ALA . 19.7 mt-10 -34.48 -50.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.639 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 14.0 m-30 -88.71 -177.26 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -131.73 110.73 11.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.037 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -66.46 148.7 51.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.718 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -137.3 126.65 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.256 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.32 128.13 35.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.1 mptp? -138.32 88.37 2.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.565 ' HA ' HD22 ' A' ' 67' ' ' LEU . 65.0 m-85 -58.77 90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 141' ' ' LEU . 3.3 m-85 -104.2 -50.36 3.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.704 ' CA ' HD13 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -43.12 -21.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -82.33 -52.42 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.467 ' C ' HG13 ' A' ' 99' ' ' VAL . 8.1 tttp -173.94 148.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.645 HG22 ' HB3' ' A' ' 145' ' ' GLN . 11.4 m -154.79 -177.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.8 mt-30 -165.74 102.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 1.047 HD12 HD12 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -90.06 106.75 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 0.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.33 88.18 3.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.617 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 13.1 p-10 -69.46 95.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 109.216 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.05 80.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.688 ' CB ' ' O ' ' A' ' 113' ' ' ALA . 2.0 t70 -158.63 -148.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 107' ' ' THR . 1.5 t0 -172.62 -157.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 106' ' ' ASP . 17.3 p -158.49 -60.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -44.96 -23.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.254 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.56 ' HG2' ' CE1' ' A' ' 110' ' ' TYR . 33.7 tt0 -128.68 -10.14 5.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 109' ' ' GLU . 2.5 m-85 -129.01 -170.29 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.601 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 4.1 tttt -80.3 -96.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.601 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 24.3 p80 178.44 78.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.384 1.053 . . . . 0.0 109.617 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.688 ' O ' ' CB ' ' A' ' 105' ' ' ASP . . . -153.39 -172.58 4.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.617 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -170.63 166.61 8.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.885 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -85.63 120.27 26.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 1.047 HD12 HD12 ' A' ' 101' ' ' ILE . 1.3 mm -107.23 124.54 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 100' ' ' GLN . 21.6 mt -111.46 128.51 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.593 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -115.58 140.14 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -44.13 -25.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -57.02 -7.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 73.01 42.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.417 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -141.01 142.09 34.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -108.53 151.8 25.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.5 t -140.29 175.08 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.887 HG21 HG12 ' A' ' 53' ' ' VAL . 8.3 mt -130.63 80.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PHE . . . . . 0.847 ' CD2' HD22 ' A' ' 50' ' ' LEU . 10.2 m-30 -74.43 132.56 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -113.82 109.36 18.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.954 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.102 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -107.5 132.11 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.02 -4.09 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -108.75 108.77 19.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -42.9 -38.85 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -68.27 -42.59 79.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.722 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 13.2 mt-10 -61.84 -40.22 94.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 138' ' ' MET . 5.6 ttpt -61.18 -34.67 75.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 138' ' ' MET . 5.2 t-20 -85.07 -36.16 21.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 0.9 OUTLIER -79.74 -23.16 42.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 1.102 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 41.2 m0 -73.18 -50.01 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.003 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' MET . . . . . 0.483 ' HA ' HG21 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -68.12 -54.31 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -51.62 -43.23 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 136' ' ' ASN . . . -61.24 -38.7 87.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.82 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -71.66 -52.91 15.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.51 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 10.9 mm -68.02 -15.04 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.173 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 139' ' ' ALA . 9.3 t -69.31 -45.42 69.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 1.141 HD11 ' CD1' ' A' ' 63' ' ' LEU . 24.8 mt -70.19 -63.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.645 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -45.7 -24.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -72.09 -27.79 62.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -94.62 35.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.3 t -113.99 27.96 9.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.26 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp -88.67 -0.6 57.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.492 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' N ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -101.32 43.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -177.04 21.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.779 HG22 ' HB3' ' A' ' 90' ' ' LEU . 2.0 pp -123.18 -130.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HB3' ' CD1' ' A' ' 90' ' ' LEU . 1.3 t0 -165.78 -88.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.558 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -99.6 13.16 61.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.637 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 17.5 t-105 . . . . . 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.638 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 42.2 p90 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.491 0.186 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 4.2 mt -54.98 -56.11 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.991 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -125.6 127.6 46.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.67 115.21 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.49 163.09 36.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.407 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -116.37 122.43 44.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.406 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.861 HD22 ' CD2' ' A' ' 126' ' ' PHE . 3.4 mp -113.93 145.23 41.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.604 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -97.82 140.48 32.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 2.1 ttm-85 -93.22 102.19 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 53' ' ' VAL . 3.1 t -78.05 70.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.707 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -148.5 7.05 0.94 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 160.58 40.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? 44.32 74.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -138.97 144.43 38.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.579 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 73' ' ' SER . 7.1 pt-20 -127.19 158.41 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.421 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 2.4 ptm180 -162.16 139.26 8.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -81.25 97.59 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.555 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.754 HG13 HD13 ' A' ' 50' ' ' LEU . 50.5 mm -67.82 148.67 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.616 ' O ' HG22 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -158.03 85.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.991 HD23 ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -72.15 114.45 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.729 ' CZ ' HG21 ' A' ' 69' ' ' ILE . 12.8 m-30 -91.45 151.68 20.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.435 ' CA ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -63.22 -1.95 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -111.15 -34.03 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -173.87 179.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.582 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -100.71 131.35 46.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -129.62 119.3 47.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.528 ' N ' HD13 ' A' ' 69' ' ' ILE . 10.6 m -105.29 114.49 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 108.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 69' ' ' ILE . 8.8 m -86.6 102.29 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 108.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -57.57 149.97 20.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.584 ' OG ' ' CE2' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -153.73 110.77 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -41.94 -28.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.584 ' CE2' ' OG ' ' A' ' 73' ' ' SER . 13.5 m-85 -95.71 -164.93 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -153.16 110.55 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.779 ' HB3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.86 125.21 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -112.86 124.94 53.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -60.13 122.43 14.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.714 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -145.08 74.39 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 67' ' ' LEU . 7.0 p90 -89.27 77.74 7.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.257 ' CE2' HD22 ' A' ' 118' ' ' LEU . 2.2 p90 -140.55 -19.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.904 ' HB3' HD12 ' A' ' 144' ' ' LEU . 2.0 mmt -39.57 -28.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' PHE . 1.2 ttt180 -59.99 -9.99 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' PHE . 19.4 tttt -173.87 84.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.68 ' CG1' ' HA ' ' A' ' 96' ' ' MET . 5.9 m -98.13 -176.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -166.24 79.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.779 HD12 HD12 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -74.8 143.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.3 m-20 -141.81 89.68 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.651 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 12.2 p-10 -60.08 80.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 102' ' ' ASN . 12.7 tttm -100.63 80.06 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 5.9 t70 -142.61 178.21 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.792 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.5 OUTLIER -147.22 15.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.1 OUTLIER 13.69 -74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.792 ' N ' ' O ' ' A' ' 106' ' ' ASP . 4.7 m-20 -32.35 -31.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.5 tt0 -113.32 -29.73 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.603 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.6 m-30 -107.85 -168.77 1.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.675 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -80.96 -91.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.7 t-80 -175.38 76.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' A' ' 126' ' ' PHE . . . -159.0 157.22 30.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.702 ' HD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -141.23 176.84 8.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.545 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -95.21 133.18 39.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.779 HD12 HD12 ' A' ' 101' ' ' ILE . 0.7 OUTLIER -116.17 116.66 53.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 100' ' ' GLN . 18.4 mt -102.15 89.46 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.257 HD22 ' CE2' ' A' ' 95' ' ' PHE . 4.5 pp -89.68 163.68 15.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.899 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.6 -175.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.4 t0 59.82 14.47 4.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 49.78 79.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.06 126.95 9.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -102.44 141.19 35.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 125' ' ' ILE . 0.3 OUTLIER -125.23 179.07 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.793 HG22 ' HB ' ' A' ' 53' ' ' VAL . 51.9 mt -139.75 81.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.861 ' CD2' HD22 ' A' ' 50' ' ' LEU . 12.7 m-30 -73.13 157.69 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.604 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -139.23 104.61 5.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.95 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.122 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -105.03 160.3 15.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -132.17 7.42 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.512 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 1.6 m -120.99 110.83 16.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -41.96 -36.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -72.9 -45.69 56.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.681 ' O ' ' N ' ' A' ' 137' ' ' TRP . 35.6 mm-40 -59.15 -43.76 92.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -58.27 -40.1 80.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 4.1 t-20 -77.74 -40.55 40.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.7 OUTLIER -76.23 -18.13 59.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.122 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 35.4 m0 -78.18 -44.43 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.651 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -84.17 -33.93 24.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -65.12 -43.9 90.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.91 91.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.575 HD23 ' HB ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -66.24 -45.93 78.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.532 HG23 ' CE1' ' A' ' 146' ' ' TYR . 14.5 mm -66.3 -17.94 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 146' ' ' TYR . 7.8 t -68.36 -51.97 38.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.904 HD12 ' HB3' ' A' ' 96' ' ' MET . 1.4 mt -71.67 -58.22 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 3.6 tm0? -44.94 -25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.583 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.6 OUTLIER -73.36 -28.22 61.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.3 ttp85 -82.38 7.6 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.52 32.9 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.97 -36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.517 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 56.7 mt-30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -91.21 8.61 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.649 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 7.6 m-20 -127.89 -27.98 2.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.06 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.5 pp -57.41 -150.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.583 ' N ' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -160.68 -44.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.861 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -131.19 44.41 1.21 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.779 ' HE3' HG21 ' A' ' 29' ' ' ILE . 66.5 t-105 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' ILE . 4.5 p90 . . . . . 0 N--CA 1.451 -0.387 0 CA-C-O 120.478 0.18 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.585 HG21 HD21 ' A' ' 63' ' ' LEU . 1.1 mm -39.59 -51.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.924 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -139.32 138.76 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 1.2 pm0 -123.57 121.3 35.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -172.65 166.51 39.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.32 119.83 35.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.952 HD13 HG13 ' A' ' 61' ' ' ILE . 3.8 mp -109.52 139.04 45.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -89.8 143.66 26.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 10.8 ttt85 -94.88 99.27 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.869 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.4 t -82.61 75.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.687 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -164.57 24.71 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.49 -25.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 16.7 ttmt 98.54 76.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.468 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 6.3 m80 -149.86 150.27 31.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.613 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 19.4 mt-10 -111.76 154.89 24.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.508 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -148.32 114.25 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' CYS . 4.8 t60 -68.6 90.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.952 HG13 HD13 ' A' ' 50' ' ' LEU . 12.6 mm -62.78 148.58 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.452 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -166.74 78.41 0.21 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.924 HD23 ' HG2' ' A' ' 46' ' ' MET . 0.0 OUTLIER -69.29 131.17 44.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.828 ' N ' HD12 ' A' ' 63' ' ' LEU . 12.2 m-85 -107.49 141.65 38.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -46.6 -24.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -85.98 -36.43 10.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 68' ' ' MET . 0.2 OUTLIER -174.19 157.4 2.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 0.737 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.678 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 4.1 tpt -83.42 118.8 23.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.972 HG13 HD23 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -108.7 118.76 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.53 ' HB2' ' HE3' ' A' ' 68' ' ' MET . 3.8 t -103.91 95.37 5.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 108.362 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 60' ' ' HIS . 4.1 m -75.38 123.12 24.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.508 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 13.9 tttt -97.35 128.06 43.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 58' ' ' GLU . 84.1 p -125.19 136.56 53.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.468 ' ND2' ' NE2' ' A' ' 57' ' ' HIS . 13.3 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.06 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 86' ' ' ALA . 32.8 mt-10 -29.31 -46.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.649 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 1.6 m-30 -92.2 -138.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.529 ' HA ' ' HB2' ' A' ' 30' ' ' ASP . 16.1 mtt85 -156.45 166.57 33.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 110.229 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.986 HD22 ' N ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -123.01 149.33 44.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.986 ' N ' HD22 ' A' ' 90' ' ' LEU . 2.7 mttt -130.16 108.03 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.38 118.43 5.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.641 1.213 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.627 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -143.19 86.39 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.17 79.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.721 ' CG ' HG11 ' A' ' 99' ' ' VAL . 4.9 m-30 -76.28 -43.19 42.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.517 ' N ' HD13 ' A' ' 144' ' ' LEU . 12.0 tmm? -41.55 -23.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -82.46 -53.51 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -178.66 143.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.868 HG22 ' HB2' ' A' ' 145' ' ' GLN . 10.4 m -142.94 -178.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -157.76 77.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -77.43 116.89 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.418 ' N ' HD13 ' A' ' 101' ' ' ILE . 4.8 t30 -119.8 100.73 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.641 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 22.2 p-10 -72.3 78.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.42 ' CB ' ' HG2' ' A' ' 115' ' ' GLU . 3.0 tptm -90.85 79.74 5.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 7.4 t0 -148.92 170.91 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.784 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -143.71 14.84 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.3 OUTLIER 15.69 -76.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.612 1.195 . . . . 0.0 110.446 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.784 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.9 m-20 -31.95 -32.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.7 tt0 -112.8 -30.26 7.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.546 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.9 m-30 -106.53 -163.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -86.08 -93.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.241 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.507 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -173.7 79.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.611 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.928 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -164.26 153.47 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.677 ' CD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -140.09 174.54 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.624 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -101.02 117.88 35.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.74 HD12 HG12 ' A' ' 101' ' ' ILE . 3.7 mm -103.75 127.51 57.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 100' ' ' GLN . 62.3 mt -112.67 102.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.583 HD13 ' HG2' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -101.0 179.34 4.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.21 -173.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 51.48 20.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER 41.5 69.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -132.85 133.29 43.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.9 OUTLIER -105.38 144.23 32.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.463 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.2 t -129.79 174.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.747 HG21 ' O ' ' A' ' 53' ' ' VAL . 2.9 mt -135.69 78.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.718 ' CD2' HD22 ' A' ' 50' ' ' LEU . 15.3 m-30 -77.0 155.0 32.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.928 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 18.4 m -137.3 114.21 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.205 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.7 148.97 32.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -115.08 -8.05 12.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.477 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 1.2 t -106.13 111.64 24.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.42 -36.74 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -69.66 -41.77 75.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.704 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 88.6 mt-10 -62.6 -40.12 95.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.236 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -60.56 -35.34 75.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.527 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 1.1 t30 -84.41 -39.25 19.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.7 OUTLIER -75.91 -22.06 56.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.205 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 38.3 m0 -74.05 -48.36 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -76.75 -50.81 12.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -49.61 -44.57 47.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.69 99.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -67.22 -44.87 78.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.455 HG12 ' CG2' ' A' ' 101' ' ' ILE . 15.4 mm -69.52 -17.66 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -44.74 74.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.874 HD11 HD13 ' A' ' 63' ' ' LEU . 11.6 mt -69.32 -63.73 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.868 ' HB2' HG22 ' A' ' 99' ' ' VAL . 2.6 tt0 -42.35 -26.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.828 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.4 OUTLIER -73.66 -37.59 65.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -80.8 50.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.09 29.66 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -177.01 -37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.1 pp . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 29' ' ' ILE . 2.2 mm-40 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.332 -0.248 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.01 52.36 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.624 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 2.8 m-20 -157.82 -39.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.093 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.7 pp -51.2 -167.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HB2' ' HA ' ' A' ' 89' ' ' ARG . 1.0 OUTLIER -152.48 -64.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.864 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -112.45 36.1 4.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.1 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.751 ' C ' ' O ' ' A' ' 31' ' ' GLY . 52.5 t-105 . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.415 0.15 . . . . 0.0 110.966 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.748 HG22 ' HG3' ' A' ' 46' ' ' MET . 8.2 mm -69.64 -74.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.748 ' HG3' HG22 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -137.64 131.23 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 12.7 pt-20 -110.5 120.39 42.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -158.11 160.27 30.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.544 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -113.27 118.47 34.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.414 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.931 HD13 HG13 ' A' ' 61' ' ' ILE . 4.6 mp -114.17 143.65 44.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.542 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.9 OUTLIER -98.07 141.16 31.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.9 ttt-85 -93.5 99.02 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.879 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.4 t -84.6 76.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.702 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -161.64 24.0 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.586 1.179 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.2 -22.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.645 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 18.2 ttmt 99.35 78.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 23.0 m80 -150.25 148.74 29.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 109.558 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 73' ' ' SER . 1.2 pt-20 -129.3 158.14 39.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 ptp85 -163.68 136.03 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.544 ' CG ' ' HB ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -79.06 93.9 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.931 HG13 HD13 ' A' ' 50' ' ' LEU . 15.8 mm -59.73 157.21 2.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -170.45 83.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.088 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -73.23 132.33 43.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.74 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 10.2 m-30 -102.86 158.66 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.468 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 12.1 t0 -63.03 -13.32 34.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.06 -38.03 3.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.803 ' C ' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -176.14 141.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.852 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 1.2 tmt? -66.71 133.03 49.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.74 HD12 ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -140.71 153.28 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.234 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.772 ' CB ' HD13 ' A' ' 61' ' ' ILE . 3.5 p -138.84 166.06 25.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.521 ' SG ' ' CB ' ' A' ' 60' ' ' HIS . 7.9 p -120.61 108.66 14.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 108.285 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -61.41 123.71 18.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.62 ' OG ' ' CE1' ' A' ' 88' ' ' TYR . 12.9 t -126.04 129.94 50.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.448 HD22 ' CD2' ' A' ' 57' ' ' HIS . 12.4 t-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.093 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 86' ' ' ALA . 21.0 mt-10 -33.21 -44.83 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.624 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 13.8 m-30 -89.64 -161.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -148.91 123.23 9.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.974 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.76 155.3 16.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.83 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -138.82 147.04 42.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.73 137.77 36.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.1 mttp -150.92 88.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -59.25 82.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.893 ' CE1' HD22 ' A' ' 118' ' ' LEU . 6.3 m-30 -96.8 -45.47 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.485 ' N ' HD13 ' A' ' 144' ' ' LEU . 12.3 tmm? -41.07 -23.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -84.26 -50.86 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.248 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -175.37 148.4 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.831 HG22 ' HB3' ' A' ' 145' ' ' GLN . 19.6 m -150.21 -177.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 117' ' ' ILE . 2.2 tm0? -167.95 98.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 1.085 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -93.46 137.02 23.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 104' ' ' LYS . 28.7 t30 -127.15 78.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.634 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 1.1 p-10 -59.5 82.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -90.32 77.07 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -170.51 156.52 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.74 25.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.528 ' C ' ' N ' ' A' ' 109' ' ' GLU . 68.0 p 40.33 -143.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 109' ' ' GLU . 5.1 m-20 42.63 21.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.528 ' N ' ' C ' ' A' ' 107' ' ' THR . 1.5 tt0 179.34 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -111.97 -177.55 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -86.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.51 78.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.598 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 126' ' ' PHE . . . -156.71 155.32 31.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.684 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -145.55 162.08 38.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.472 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -91.43 131.75 36.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.254 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 1.085 HD12 HD12 ' A' ' 101' ' ' ILE . 2.8 mm -115.14 166.19 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 100' ' ' GLN . 22.3 mt -154.46 137.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.893 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -126.5 138.76 53.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.452 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -41.55 -28.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 4.3 t0 -48.58 -20.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 8.4 tt0 88.44 44.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.24 157.03 43.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.43 167.34 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.943 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.5 t -147.08 175.85 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.768 HG21 ' O ' ' A' ' 53' ' ' VAL . 23.3 mt -137.59 77.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.727 ' CD2' HD22 ' A' ' 50' ' ' LEU . 5.8 m-30 -68.52 165.97 17.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.549 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 32.5 m -147.4 102.11 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.054 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.1 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -103.95 153.74 20.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -117.26 -9.99 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.499 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -108.71 118.94 38.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.85 -33.42 16.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -36.22 69.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.723 ' O ' ' N ' ' A' ' 137' ' ' TRP . 4.8 mm-40 -66.11 -44.19 85.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.225 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -57.42 -44.37 84.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.1 m-20 -72.87 -41.71 64.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -76.98 -15.65 59.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.1 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 34.3 m0 -82.03 -43.66 17.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.3 OUTLIER -83.56 -36.88 23.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.78 -46.05 89.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.522 ' HB2' ' SD ' ' A' ' 46' ' ' MET . . . -56.69 -46.46 81.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -62.35 -49.36 75.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.442 HG12 ' CG2' ' A' ' 101' ' ' ILE . 6.1 mm -67.0 -14.98 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.74 -40.84 72.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 110.026 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.088 HD11 ' CD1' ' A' ' 63' ' ' LEU . 22.2 mt -71.08 -64.92 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.831 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -46.42 -23.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.688 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.3 OUTLIER -70.48 -30.72 67.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.1 mtm180 -89.12 39.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.43 25.2 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -169.22 -40.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.8 pp . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -95.85 25.98 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.471 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -147.93 16.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.719 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.1 pp -108.77 -141.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.491 ' H ' ' HB ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -161.98 -77.63 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -102.29 15.51 56.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.58 ' C ' ' O ' ' A' ' 31' ' ' GLY . 49.2 t-105 . . . . . 0 C--N 1.324 -0.519 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.445 0.164 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.499 HG12 ' N ' ' A' ' 65' ' ' ASP . 1.5 mm -90.17 -67.07 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.489 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -144.66 141.87 29.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -110.34 138.1 47.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.71 164.35 37.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.578 1.174 . . . . 0.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.552 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -114.96 115.33 26.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 110.407 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.845 HD13 ' CG1' ' A' ' 61' ' ' ILE . 5.0 mp -113.32 140.22 48.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -101.37 144.94 29.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.467 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.524 ' CG ' ' HB2' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -94.5 108.08 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.836 ' O ' HG12 ' A' ' 53' ' ' VAL . 2.4 t -87.78 71.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.588 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -155.22 20.64 0.56 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.621 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 170.39 -24.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.621 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 9.7 tttm 98.81 74.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.524 ' HB2' ' CG ' ' A' ' 52' ' ' ARG . 51.9 m80 -149.38 158.53 44.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.573 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' A' ' 73' ' ' SER . 4.8 pt-20 -125.76 164.12 21.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 71' ' ' CYS . 1.2 ptp180 -164.43 141.61 6.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.559 ' HE2' ' HE2' ' A' ' 62' ' ' PHE . 80.9 t60 -87.94 96.3 10.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.845 ' CG1' HD13 ' A' ' 50' ' ' LEU . 26.5 mm -66.74 156.72 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -166.89 91.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.821 HD11 ' CD1' ' A' ' 144' ' ' LEU . 4.4 tp -80.49 130.1 34.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.701 ' CE2' HG21 ' A' ' 69' ' ' ILE . 11.2 m-30 -105.0 155.12 19.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.499 ' N ' HG12 ' A' ' 45' ' ' ILE . 3.5 m-20 -69.47 1.83 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -114.93 -34.79 1.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.885 HD22 ' CE1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -176.9 139.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 0.719 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.539 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -71.78 140.65 49.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.806 HG13 HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -144.23 154.97 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 91' ' ' LYS . 26.7 p -144.17 141.09 29.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 108.287 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -104.7 127.15 52.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 59' ' ' ARG . 13.6 tttt -78.03 116.82 18.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.559 ' HA ' ' CD1' ' A' ' 88' ' ' TYR . 34.0 m -116.57 108.04 15.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 m120 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.719 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . 8.4 mt-10 -38.61 -44.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.35 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 12.6 m-85 -83.38 -168.36 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 1.9 ttp85 -135.46 116.33 14.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -68.64 142.43 55.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.619 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -119.49 155.81 31.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.446 ' HG2' ' CE2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -97.16 120.05 36.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.632 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -125.61 74.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.885 ' CE1' HD22 ' A' ' 67' ' ' LEU . 45.2 m-85 -69.42 72.9 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.057 ' CD2' HD22 ' A' ' 118' ' ' LEU . 3.2 m-85 -135.48 -2.18 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.472 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -54.53 -17.26 3.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tpt85 -89.33 -13.72 37.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -176.18 130.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.685 HG22 ' HB3' ' A' ' 145' ' ' GLN . 3.2 m -146.35 -178.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.402 ' O ' ' HB ' ' A' ' 117' ' ' ILE . 6.7 mt-30 -162.08 91.46 0.8 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.073 . . . . 0.0 110.329 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.908 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -83.93 137.49 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 104' ' ' LYS . 17.6 t-20 -128.96 81.48 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.607 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 8.8 p-10 -65.18 78.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -96.37 82.08 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 10.8 t0 -144.18 172.17 13.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.783 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.3 OUTLIER -149.61 19.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.6 OUTLIER 12.51 -74.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.783 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.0 m-20 -32.36 -31.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.634 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.2 tt0 -112.57 -29.86 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.582 ' O ' ' O ' ' A' ' 107' ' ' THR . 15.3 m-30 -109.35 -166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 107' ' ' THR . 2.5 tptt -80.71 -93.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.532 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 1.1 t-80 -175.17 75.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.612 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.969 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -159.71 159.55 33.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.381 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.607 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -142.87 168.23 20.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.34 126.47 45.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.908 HD12 HD12 ' A' ' 101' ' ' ILE . 2.4 mm -102.5 166.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 36.2 mt -155.3 109.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.057 HD22 ' CD2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -85.95 146.85 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -47.1 -30.85 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.667 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 4.1 t0 -54.25 -15.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 12.4 tt0 91.16 22.05 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.867 ' HB3' HD12 ' A' ' 118' ' ' LEU . 5.2 t30 -104.3 -178.93 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 1.0 OUTLIER -146.69 161.9 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 125' ' ' ILE . 0.8 OUTLIER -147.47 175.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.571 HG22 ' HB ' ' A' ' 53' ' ' VAL . 3.1 mt -135.91 80.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.617 ' CD2' HG13 ' A' ' 116' ' ' ILE . 3.1 m-85 -76.53 159.74 30.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.969 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -143.2 112.42 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 110.06 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.65 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.71 175.27 5.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -128.93 -24.87 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.508 ' CB ' ' HG2' ' A' ' 133' ' ' GLU . 0.3 OUTLIER -108.22 125.95 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.95 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 134' ' ' LYS . . . -49.88 -23.39 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -76.84 -42.57 39.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.706 ' O ' ' N ' ' A' ' 137' ' ' TRP . 20.2 mm-40 -57.87 -53.87 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -53.29 -44.62 68.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 2.9 t-20 -67.07 -42.47 84.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.5 t30 -77.36 -17.9 57.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.785 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 39.7 m0 -78.83 -41.16 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.548 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -87.58 -36.2 17.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -63.62 -46.56 85.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.489 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -57.08 -45.28 83.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.404 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.09 -41.28 74.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 146' ' ' TYR . 6.4 mm -68.05 -21.06 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 139' ' ' ALA . 29.1 t -70.62 -41.62 72.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.821 ' CD1' HD11 ' A' ' 63' ' ' LEU . 16.7 mt -73.1 -63.69 1.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.685 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -47.23 -21.98 0.34 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.574 ' CE1' HG23 ' A' ' 142' ' ' ILE . 0.5 OUTLIER -70.53 -29.66 66.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -83.99 7.29 18.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . 0.43 ' CB ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -100.87 31.23 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.938 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.92 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.641 ' HG3' ' CE ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.641 ' CE ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -106.82 28.57 7.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.515 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m-20 -166.02 27.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.974 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.5 pp -111.36 -156.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -155.33 -76.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.702 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.48 38.45 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.702 ' C ' ' O ' ' A' ' 31' ' ' GLY . 76.2 t-105 . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 64' ' ' PHE . 3.3 m-85 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.476 0.179 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.749 ' CD1' HD21 ' A' ' 144' ' ' LEU . 4.2 mt -62.46 -52.0 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.263 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.649 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -148.95 132.57 16.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.633 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -113.89 130.83 56.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -171.24 171.03 43.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.691 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -119.27 118.44 31.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.449 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 HG13 ' A' ' 61' ' ' ILE . 5.2 mp -111.29 136.52 50.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -95.08 134.59 37.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.451 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.1 OUTLIER -87.96 100.8 13.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.5 t -81.52 72.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -150.18 6.0 0.68 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.78 35.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.463 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER 48.36 80.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.543 ' CD2' ' HB2' ' A' ' 74' ' ' ASN . 5.7 m80 -148.86 142.63 25.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.561 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' C ' ' CG ' ' A' ' 59' ' ' ARG . 31.9 tt0 -122.95 159.48 28.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.356 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.468 ' CG ' ' C ' ' A' ' 58' ' ' GLU . 10.6 mtt180 -158.47 140.55 13.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.691 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.5 OUTLIER -83.96 97.05 9.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.572 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.899 HG13 HD13 ' A' ' 50' ' ' LEU . 43.9 mm -71.72 147.49 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CE1' ' CB ' ' A' ' 47' ' ' GLU . 2.7 m-85 -162.7 82.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.884 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -71.4 135.23 47.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.798 ' N ' HD12 ' A' ' 63' ' ' LEU . 16.2 m-85 -108.84 157.98 18.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.476 ' CA ' HG13 ' A' ' 45' ' ' ILE . 9.1 t70 -60.3 -16.41 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.31 -37.37 4.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.492 1.12 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 68' ' ' MET . 0.8 OUTLIER -176.2 147.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.884 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 1.2 tmt? -71.1 139.48 50.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.769 ' CG1' HD23 ' A' ' 90' ' ' LEU . 1.2 tp -118.36 164.34 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.517 ' SG ' ' CD1' ' A' ' 61' ' ' ILE . 5.6 t -164.08 113.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 22.6 p -101.7 112.17 24.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.293 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -60.74 133.88 56.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.542 ' HB2' ' CG ' ' A' ' 88' ' ' TYR . 2.8 t -130.25 104.94 7.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.543 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 19.8 t-20 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.974 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 86' ' ' ALA . 33.6 mt-10 -26.96 -50.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.542 ' CG ' ' HB2' ' A' ' 73' ' ' SER . 2.8 m-30 -95.22 144.01 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 2.0 ttt85 -96.88 112.58 24.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.074 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.27 140.57 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.74 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -127.42 136.36 51.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 93' ' ' LYS . 20.6 tt0 -72.13 142.4 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.602 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -152.47 81.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CE2' ' OE2' ' A' ' 92' ' ' GLU . 1.4 m-85 -58.26 89.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CE2' HD11 ' A' ' 141' ' ' LEU . 5.7 m-30 -100.72 -48.6 4.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.707 ' N ' HD13 ' A' ' 144' ' ' LEU . 1.3 tmt? -40.04 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' PHE . 1.7 tpt180 -80.02 -51.1 9.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.115 . . . . 0.0 110.247 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' C ' HG13 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -176.21 148.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 145' ' ' GLN . 13.2 m -154.61 -178.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.3 OUTLIER -167.9 99.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.555 HD13 ' HA ' ' A' ' 138' ' ' MET . 0.1 OUTLIER -88.83 141.34 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.486 ' N ' HG13 ' A' ' 101' ' ' ILE . 3.8 t-20 -133.42 79.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.589 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 4.3 p-10 -65.04 79.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 102' ' ' ASN . 1.1 mtmt -98.33 79.32 2.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.585 ' OD2' HG23 ' A' ' 107' ' ' THR . 9.9 t0 -135.77 166.43 23.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.73 ' O ' ' N ' ' A' ' 108' ' ' ASN . 27.3 m-20 -134.84 8.4 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.606 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.7 OUTLIER 19.42 -79.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.452 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.73 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.3 t30 -33.17 -32.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.9 tt0 -112.71 -27.43 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CZ ' ' OD2' ' A' ' 106' ' ' ASP . 13.4 m-30 -105.81 -167.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.512 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -84.73 -90.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.512 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -175.83 78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.584 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -162.72 163.06 27.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.38 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.654 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -153.0 165.92 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.3 OUTLIER -93.81 133.7 36.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.579 HD11 ' HB2' ' A' ' 126' ' ' PHE . 4.9 mp -123.88 136.47 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' GLN . 55.4 mt -116.85 127.34 74.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -111.95 139.59 47.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 121' ' ' GLU . 24.8 tptt -41.63 -32.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.6 m-20 -46.03 -21.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.518 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 0.6 OUTLIER 88.25 39.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.248 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.9 157.68 44.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 2.4 p -114.72 160.46 19.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.525 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.4 t -139.74 176.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.54 HG21 ' O ' ' A' ' 53' ' ' VAL . 4.3 mp -139.34 78.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.61 ' CD2' HD22 ' A' ' 50' ' ' LEU . 3.5 m-85 -74.31 165.62 24.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.666 ' OG ' HG23 ' A' ' 53' ' ' VAL . 39.3 m -144.35 104.11 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.025 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -102.42 147.21 27.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -111.96 -9.47 14.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.5 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -109.51 116.35 31.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 0.0 110.052 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.23 -32.93 4.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -72.71 -41.95 64.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.72 ' O ' ' N ' ' A' ' 137' ' ' TRP . 7.0 mm-40 -59.7 -44.98 93.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.5 OUTLIER -57.44 -44.29 84.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.544 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 0.2 OUTLIER -71.63 -41.31 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.6 OUTLIER -77.42 -16.99 58.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.025 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 36.2 m0 -79.72 -40.25 29.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -89.29 -34.35 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -63.1 -47.95 80.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.36 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.478 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -56.99 -44.28 82.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.706 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -64.21 -49.1 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.622 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 19.2 mm -67.64 -15.51 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 139' ' ' ALA . 3.9 t -70.67 -43.45 69.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.749 HD21 ' CD1' ' A' ' 45' ' ' ILE . 67.8 mt -72.02 -63.73 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.392 1.057 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.774 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -46.01 -23.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.622 ' CE1' ' CG2' ' A' ' 142' ' ' ILE . 0.7 OUTLIER -71.92 -28.77 63.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.1 mtt180 -82.62 8.75 11.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.34 44.6 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 110.006 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 174.27 -34.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.456 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -94.93 21.67 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.448 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 58.6 t-20 -146.37 18.52 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.804 HG22 ' HB2' ' A' ' 90' ' ' LEU . 1.7 pp -115.41 164.58 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.483 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -106.22 -79.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -102.21 5.02 52.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 31.3 t-105 . . . . . 0 C--N 1.324 -0.5 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 27.1 p90 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.558 0.218 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.88 HD12 HD21 ' A' ' 144' ' ' LEU . 1.7 mt -52.07 -55.59 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.971 ' SD ' HD23 ' A' ' 63' ' ' LEU . 14.8 ptm -123.76 130.03 51.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.78 114.18 26.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.94 160.57 33.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.13 124.82 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.888 HD13 ' CG1' ' A' ' 61' ' ' ILE . 4.5 mp -113.07 143.69 43.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.9 OUTLIER -95.92 142.66 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.426 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -94.43 102.37 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.879 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.6 t -88.01 75.52 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.696 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -161.51 24.97 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.429 1.081 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 163.34 -24.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.635 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 99.15 81.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.586 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 94.2 m-70 -162.51 149.75 13.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.574 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 73' ' ' SER . 2.0 mp0 -113.81 169.15 9.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.598 ' HG3' HD11 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -163.09 126.91 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.447 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -73.57 104.71 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.595 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.888 ' CG1' HD13 ' A' ' 50' ' ' LEU . 18.9 mm -77.58 134.23 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.519 ' CD2' ' HE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -149.2 82.36 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.135 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -71.55 130.83 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.374 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.812 ' CE2' HG21 ' A' ' 69' ' ' ILE . 10.4 m-30 -107.71 152.4 24.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.3 t0 -61.02 -12.77 12.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' C ' ' SD ' ' A' ' 96' ' ' MET . . . -97.05 -34.11 5.78 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.675 HD12 ' N ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -174.51 158.42 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.675 ' N ' HD12 ' A' ' 67' ' ' LEU . 17.8 mtp -85.07 119.7 25.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.984 HD12 ' N ' ' A' ' 70' ' ' CYS . 0.2 OUTLIER -110.8 146.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.984 ' N ' HD12 ' A' ' 69' ' ' ILE . 15.6 m -142.5 92.76 2.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 108.347 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.0 p -79.92 130.21 35.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 108.291 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 88' ' ' TYR . 31.3 tttt -82.77 164.61 20.51 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.658 ' HA ' ' CG ' ' A' ' 88' ' ' TYR . 16.1 p -177.81 140.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.095 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 19.4 mt-10 37.12 -59.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 1.095 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -147.39 -73.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 175.43 152.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.979 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -85.01 133.93 34.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.596 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -116.53 91.75 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.589 ' CD ' HD21 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -57.84 135.43 56.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.628 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 24.7 mttt -135.99 76.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 37.9 p90 -69.74 76.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.097 ' CE2' HD13 ' A' ' 118' ' ' LEU . 10.8 m-85 -129.98 -4.69 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.935 ' HB2' HD13 ' A' ' 144' ' ' LEU . 2.5 ptt? -47.23 -34.47 6.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.506 ' N ' ' HG3' ' A' ' 96' ' ' MET . 0.0 OUTLIER -64.22 -16.57 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -174.97 116.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.834 HG22 ' HB3' ' A' ' 145' ' ' GLN . 8.4 m -137.89 -178.07 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -168.96 115.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.758 HD12 HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -100.5 135.85 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.6 m120 -126.56 80.39 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.184 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.587 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 16.9 p-10 -61.68 80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' ASN . 9.1 tttp -98.99 79.76 2.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.408 ' OD2' HG23 ' A' ' 107' ' ' THR . 13.6 t0 -137.0 170.72 15.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.772 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -144.25 15.27 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.4 OUTLIER 13.64 -75.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.423 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.772 ' N ' ' O ' ' A' ' 106' ' ' ASP . 13.2 t30 -31.47 -32.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.645 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.0 OUTLIER -113.47 -31.2 6.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.585 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.0 m-30 -104.52 -170.02 1.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -84.26 -89.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -173.78 78.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.605 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.8 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -157.78 160.34 37.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.587 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -148.41 166.36 28.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 15.7 pt-20 -94.94 130.01 41.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.758 HD12 HD12 ' A' ' 101' ' ' ILE . 2.7 mm -104.32 167.98 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' GLN . 58.5 mt -151.73 101.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.097 HD13 ' CE2' ' A' ' 95' ' ' PHE . 2.3 pp -109.03 163.16 13.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -46.59 176.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 69.61 6.14 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 57.09 75.53 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.51 138.12 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -114.24 150.47 34.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.927 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.455 HG12 ' H ' ' A' ' 125' ' ' ILE . 0.9 OUTLIER -127.99 174.71 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.798 HG21 ' O ' ' A' ' 53' ' ' VAL . 3.2 mt -134.68 79.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.623 ' CD2' HG13 ' A' ' 116' ' ' ILE . 3.0 m-85 -76.48 158.71 31.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.8 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 18.1 m -139.47 104.48 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.071 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.144 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -105.31 141.51 36.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 0.0 109.384 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 -8.43 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 m -106.27 113.7 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.949 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -46.57 -34.34 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.15 -43.34 67.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.741 ' O ' ' N ' ' A' ' 137' ' ' TRP . 21.0 mt-10 -60.45 -42.73 96.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.565 ' O ' ' HG2' ' A' ' 138' ' ' MET . 5.4 ttpt -56.71 -42.92 80.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 32.6 t30 -76.28 -40.55 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.2 m-20 -77.15 -15.84 59.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.144 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 34.1 m0 -80.82 -44.05 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -83.53 -37.58 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.501 ' CA ' ' HE2' ' A' ' 138' ' ' MET . . . -62.62 -46.48 88.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.46 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -59.03 -42.22 89.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -65.46 -47.72 75.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.496 HG22 ' CE2' ' A' ' 146' ' ' TYR . 24.8 mm -68.46 -17.24 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.0 t -69.21 -43.95 73.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.924 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.135 HD11 ' CD1' ' A' ' 63' ' ' LEU . 68.3 mt -69.13 -59.77 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.834 ' HB3' HG22 ' A' ' 99' ' ' VAL . 2.7 pp0? -46.98 -23.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.654 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -76.52 -34.84 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -81.94 47.8 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.12 27.12 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -171.07 -39.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 33.9 mt-30 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.49 44.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.576 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 1.3 t-20 -168.87 -31.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.046 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.4 pp -58.54 -145.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.534 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 12.2 t70 -158.4 -52.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.71 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -133.68 29.32 3.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.416 1.073 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.71 ' C ' ' O ' ' A' ' 31' ' ' GLY . 9.9 t-105 . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 31.7 p90 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.436 0.16 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 65' ' ' ASP . 32.8 mt -50.03 -59.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.522 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -138.23 129.98 28.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -107.62 129.76 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.09 163.37 37.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.741 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -116.29 117.92 31.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.955 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.4 OUTLIER -119.17 152.72 36.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.22 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.573 ' CG2' ' HB2' ' A' ' 127' ' ' SER . 0.6 OUTLIER -100.57 128.21 46.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.425 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' HIS . 13.2 ttt180 -80.26 90.59 5.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.82 HG12 HG21 ' A' ' 125' ' ' ILE . 1.2 t -64.37 176.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.688 ' N ' HG13 ' A' ' 53' ' ' VAL . . . 81.35 -5.61 67.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -147.17 -36.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.5 OUTLIER 88.7 68.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.423 ' CE1' HD22 ' A' ' 74' ' ' ASN . 53.9 m-70 -149.02 149.11 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.619 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -98.48 163.32 12.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.631 ' HD2' HD11 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -162.59 117.45 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.554 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.2 OUTLIER -68.21 87.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.955 ' CG1' HD13 ' A' ' 50' ' ' LEU . 29.5 mm -57.48 145.49 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.513 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.4 OUTLIER -164.54 80.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.79 HD21 ' CD1' ' A' ' 144' ' ' LEU . 5.7 tp -70.32 115.61 9.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 18.7 m-30 -92.36 145.4 24.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.604 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -55.09 -14.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.657 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -94.02 -45.05 3.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.047 HD13 ' CD1' ' A' ' 94' ' ' PHE . 83.2 mt -161.0 146.41 14.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.532 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.7 100.28 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.088 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.044 HD12 HD21 ' A' ' 90' ' ' LEU . 2.0 mm -93.96 147.69 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.578 ' CB ' HD13 ' A' ' 61' ' ' ILE . 1.6 p -149.49 106.39 3.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.543 ' O ' ' CA ' ' A' ' 59' ' ' ARG . 6.4 m -75.75 127.4 32.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 108.323 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.539 ' CG ' ' NH1' ' A' ' 59' ' ' ARG . 4.1 mtpm? -96.36 118.16 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 m -117.65 130.36 56.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.423 HD22 ' CE1' ' A' ' 57' ' ' HIS . 6.4 m120 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.046 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 86' ' ' ALA . 13.9 mt-10 -27.66 -53.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.576 ' CG ' ' OD1' ' A' ' 28' ' ' ASN . 2.8 m-30 -88.25 -142.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.475 ' HA ' ' HB2' ' A' ' 30' ' ' ASP . 12.6 ttp180 -149.29 156.07 41.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.16 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.044 HD21 HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -112.99 138.72 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.678 ' N ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -122.78 130.71 53.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -90.07 123.98 34.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 20.4 mttt -131.75 79.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 1.047 ' CD1' HD13 ' A' ' 67' ' ' LEU . 4.7 m-85 -62.67 79.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.774 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 44.4 m-85 -144.02 7.94 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.522 ' HG2' HD13 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -61.7 -10.5 8.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 1.183 . . . . 0.0 111.015 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.13 -0.82 20.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.431 ' HB3' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -175.14 131.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.544 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 3.1 m -152.53 -175.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.6 mt-30 -168.66 82.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 138' ' ' MET . 0.5 OUTLIER -76.68 144.69 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' LYS . 0.5 OUTLIER -133.85 84.05 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.634 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 51.5 p-10 -63.18 78.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -103.9 78.45 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 6.0 t70 -154.39 -159.3 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.752 ' C ' HG23 ' A' ' 107' ' ' THR . 0.1 OUTLIER 162.59 -24.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.393 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.752 HG23 ' C ' ' A' ' 106' ' ' ASP . 1.3 p 71.69 -6.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.442 ' H ' ' C ' ' A' ' 106' ' ' ASP . 7.4 m-20 -62.37 -6.52 3.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 107' ' ' THR . 4.2 tt0 -157.24 -20.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -108.86 -171.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -75.77 -88.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.474 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 1.6 t-80 -178.01 79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.98 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -167.27 148.35 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -115.48 174.49 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.688 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -100.59 118.8 37.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.72 HD13 ' N ' ' A' ' 116' ' ' ILE . 1.1 mm -95.47 157.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 100' ' ' GLN . 40.2 mt -150.86 110.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.774 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -110.56 178.0 4.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 118' ' ' LEU . 2.3 tptp -54.18 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.2 t70 45.73 23.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 42.38 83.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.546 ' HB2' HD12 ' A' ' 118' ' ' LEU . 15.6 m-20 -149.47 155.3 40.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -132.33 164.96 25.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.99 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.409 ' C ' HD12 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -149.77 179.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.82 HG21 HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -142.83 87.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.528 ' HB3' HD23 ' A' ' 50' ' ' LEU . 17.4 m-30 -87.26 135.4 33.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.98 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 62.4 m -109.02 117.32 33.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.151 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -118.6 144.29 46.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -115.28 0.84 13.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.493 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -113.43 111.99 22.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.113 . . . . 0.0 110.067 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.21 -38.06 5.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.378 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.61 -41.9 68.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.741 ' O ' ' N ' ' A' ' 137' ' ' TRP . 15.5 mm-40 -59.22 -48.82 80.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 138' ' ' MET . 1.2 ttpm? -54.45 -44.74 72.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.573 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 3.8 t-20 -70.53 -41.78 72.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.3 OUTLIER -76.93 -17.1 59.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.151 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 38.1 m0 -79.27 -39.48 32.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.034 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.601 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -91.24 -35.89 14.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -58.64 -49.46 77.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -57.49 -40.12 77.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.504 HD22 ' HB ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -69.11 -46.18 68.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.512 HG12 ' CG2' ' A' ' 101' ' ' ILE . 3.1 mm -67.08 -20.22 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -48.83 68.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.79 ' CD1' HD21 ' A' ' 63' ' ' LEU . 82.4 mt -71.45 -57.16 4.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.482 ' HB2' HG22 ' A' ' 99' ' ' VAL . 1.2 tm0? -43.34 -25.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.948 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.5 OUTLIER -78.21 -38.33 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.383 1.052 . . . . 0.0 111.001 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 144' ' ' LEU . 25.3 mtt-85 -78.94 49.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.64 25.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.72 -37.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 110.406 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.948 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.476 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.1 mt-30 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -91.22 36.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.643 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -167.57 24.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.518 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.9 pp -119.48 -132.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -167.44 -82.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.588 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -101.37 10.96 58.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.584 ' C ' ' O ' ' A' ' 31' ' ' GLY . 63.5 t-105 . . . . . 0 C--N 1.325 -0.487 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.4 ' CE1' ' HE1' ' A' ' 64' ' ' PHE . 28.1 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.56 0.219 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.878 HD12 HD21 ' A' ' 144' ' ' LEU . 1.4 mt -59.1 -69.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.618 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -126.69 143.01 51.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . 4.6 mp0 -118.01 123.1 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -169.51 156.44 27.45 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.605 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -110.13 129.91 55.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 110.376 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.819 HD22 ' CD2' ' A' ' 126' ' ' PHE . 2.0 mp -126.29 156.75 39.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.515 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -112.63 138.1 49.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 7.9 ttp85 -89.31 94.16 9.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.6 t -81.26 78.37 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.692 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -171.11 29.11 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.32 -22.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.4 0.706 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.649 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 100.15 78.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 74' ' ' ASN . 67.6 m-70 -141.85 135.41 29.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.072 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.409 ' CG ' ' OG1' ' A' ' 51' ' ' THR . 60.4 tt0 -143.04 139.92 30.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.764 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -175.69 -175.04 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.653 ' O ' HD13 ' A' ' 61' ' ' ILE . 1.6 t-80 -92.51 147.1 23.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.58 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.801 HD12 ' HB2' ' A' ' 70' ' ' CYS . 37.1 mm -123.2 119.04 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 47' ' ' GLU . 64.2 m-85 -124.66 110.11 13.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.041 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -92.2 129.03 38.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CE2' ' HB ' ' A' ' 69' ' ' ILE . 4.0 m-85 -97.93 156.51 16.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.485 ' CA ' HG13 ' A' ' 45' ' ' ILE . 1.5 t0 -65.22 -11.79 44.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -101.53 -32.61 5.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.415 HD21 HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -176.75 139.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.705 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -78.64 115.32 18.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.892 HD12 ' CD2' ' A' ' 90' ' ' LEU . 17.4 mm -108.52 118.68 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.801 ' HB2' HD12 ' A' ' 61' ' ' ILE . 14.4 p -103.23 117.34 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 108.355 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.764 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 2.7 m -97.69 99.18 10.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.35 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.594 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 30.9 mttt -91.28 155.49 18.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.62 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 14.1 t -147.6 133.4 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 23.0 t-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.529 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 86' ' ' ALA . 19.8 mt-10 -32.95 -58.88 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.656 ' CE2' ' NE ' ' A' ' 59' ' ' ARG . 1.6 m-30 -74.04 -168.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -143.85 117.99 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.049 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.98 152.09 44.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.732 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -136.6 116.26 12.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 11.4 pt-20 -59.45 116.17 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.62 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 6.6 mmtm -132.11 83.47 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -59.47 78.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.0 ' CE1' HD22 ' A' ' 118' ' ' LEU . 6.6 m-30 -92.06 -46.01 8.01 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.816 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -41.37 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -81.36 -51.09 8.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG3' ' CB ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -173.42 149.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 145' ' ' GLN . 14.0 m -155.33 -176.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' ILE . 2.1 tt0 -167.64 85.49 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.628 HD12 HD12 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -74.58 141.4 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.459 ' N ' HG13 ' A' ' 101' ' ' ILE . 1.7 t30 -134.98 90.94 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.642 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 13.2 p-10 -67.37 79.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -99.05 79.61 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.49 ' OD2' HG23 ' A' ' 107' ' ' THR . 10.8 t0 -138.31 171.92 13.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.748 ' O ' ' N ' ' A' ' 108' ' ' ASN . 1.3 t70 -140.89 12.55 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.654 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.6 OUTLIER 13.34 -76.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.748 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.7 m120 -31.42 -32.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.6 tt0 -112.01 -31.14 7.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.573 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.1 m-30 -105.26 -166.89 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.489 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -82.44 -92.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.455 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -174.73 79.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.581 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.881 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -162.66 152.63 16.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.678 ' HD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -136.97 169.97 16.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.76 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -96.77 122.17 39.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 110.331 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.76 HD13 ' C ' ' A' ' 115' ' ' GLU . 2.0 mm -104.28 148.14 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 100' ' ' GLN . 1.9 mp -132.36 134.99 58.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.0 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -123.11 134.96 54.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.5 ' CB ' ' HG3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -45.71 -25.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.876 ' HB3' HD12 ' A' ' 118' ' ' LEU . 24.4 t0 -52.1 -16.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 5.4 mt-10 87.4 46.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -151.24 159.95 44.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -124.21 163.05 22.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.95 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.51 ' C ' HD12 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -142.62 176.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.773 HG21 ' O ' ' A' ' 53' ' ' VAL . 5.3 mp -140.19 80.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.819 ' CD2' HD22 ' A' ' 50' ' ' LEU . 11.6 m-30 -75.03 156.62 35.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.881 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 37.1 m -138.83 112.11 8.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.0 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -110.65 158.49 18.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -118.78 -8.67 10.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.507 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -112.79 114.92 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.952 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.16 -35.6 3.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -68.8 -39.97 79.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.685 ' HB3' ' NE1' ' A' ' 137' ' ' TRP . 4.2 mm-40 -61.28 -45.14 95.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 138' ' ' MET . 3.5 ttpt -57.9 -38.41 75.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.459 ' O ' ' HG3' ' A' ' 138' ' ' MET . 2.0 t-20 -78.58 -38.36 40.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.3 m-20 -77.91 -19.06 55.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.389 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.0 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 41.3 m0 -78.74 -46.33 19.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -77.64 -39.75 44.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -59.71 -42.02 92.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.571 ' HB2' ' SD ' ' A' ' 46' ' ' MET . . . -63.98 -43.88 94.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.811 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -64.03 -45.5 88.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' A' ' 101' ' ' ILE . 13.9 mm -70.39 -15.36 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.75 -42.41 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.041 HD11 ' CD1' ' A' ' 63' ' ' LEU . 62.0 mt -70.13 -63.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.394 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.684 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -48.26 -22.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.605 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.5 OUTLIER -73.02 -27.81 61.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 111.006 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 144' ' ' LEU . 6.6 mpt_? -92.12 25.28 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.46 31.19 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.054 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.78 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.605 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.643 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 6.5 pt20 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -96.57 38.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -177.52 30.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.845 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.6 pp -136.83 -145.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.466 ' H ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -157.59 -81.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.44 19.34 29.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.564 ' C ' ' O ' ' A' ' 31' ' ' GLY . 57.3 t-105 . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.514 0.197 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.152 ' CD1' HD21 ' A' ' 144' ' ' LEU . 15.5 mt -78.17 -72.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.538 ' HG3' HG22 ' A' ' 45' ' ' ILE . 2.3 mtp -139.71 133.4 30.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.591 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -110.22 116.67 31.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 61' ' ' ILE . . . -148.49 160.79 28.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.454 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -113.06 116.17 29.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.927 HD13 ' CG1' ' A' ' 61' ' ' ILE . 2.6 mp -118.18 146.02 44.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -98.35 143.49 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.482 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 52' ' ' ARG . 2.4 ptm85 -99.98 105.45 17.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.809 HG12 ' H ' ' A' ' 54' ' ' GLY . 3.3 t -71.44 -176.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.809 ' H ' HG12 ' A' ' 53' ' ' VAL . . . 76.38 1.46 70.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -156.7 -40.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.7 OUTLIER 89.71 78.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.357 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.561 ' CE1' ' ND2' ' A' ' 74' ' ' ASN . 73.0 t60 -153.61 153.18 31.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 1.5 mt-10 -105.87 159.03 16.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.516 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 7.5 ptm180 -160.42 112.77 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.591 1.182 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.594 ' CB ' ' CD2' ' A' ' 88' ' ' TYR . 18.2 t60 -66.01 92.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.591 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.927 ' CG1' HD13 ' A' ' 50' ' ' LEU . 48.8 mm -62.0 155.33 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -170.34 82.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -71.51 125.09 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 7.7 m-30 -98.0 157.0 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.858 ' HA ' HD11 ' A' ' 45' ' ' ILE . 6.7 t0 -69.27 -0.83 6.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.05 -28.36 3.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 68' ' ' MET . 0.5 OUTLIER -174.16 174.75 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.746 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -89.76 104.79 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.963 HD12 HD21 ' A' ' 90' ' ' LEU . 6.4 mm -100.34 131.8 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.669 ' HB3' HD13 ' A' ' 61' ' ' ILE . 5.7 m -136.31 111.92 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.278 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 60' ' ' HIS . 0.8 OUTLIER -90.97 103.37 16.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 108.281 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 2.0 ptmt -59.68 151.13 25.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.534 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 35.0 t -140.87 124.4 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.192 . . . . 0.0 110.01 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.561 ' ND2' ' CE1' ' A' ' 57' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.845 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -32.22 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.594 ' CD2' ' CB ' ' A' ' 60' ' ' HIS . 1.1 m-85 -118.01 143.88 46.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -88.17 120.35 29.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.963 HD21 HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -57.6 142.52 44.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.629 ' H ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -133.25 130.95 39.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -85.16 116.37 23.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 68' ' ' MET . 1.7 mmtt -133.5 75.68 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.452 ' HA ' ' HB2' ' A' ' 67' ' ' LEU . 12.2 p90 -76.66 75.03 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.147 ' CD2' HD13 ' A' ' 118' ' ' LEU . 3.7 m-85 -138.01 -0.16 2.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.932 ' HB2' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.62 -36.13 44.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' A' ' 96' ' ' MET . 4.3 ttm-85 -62.37 -6.86 3.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 95' ' ' PHE . 8.0 tttt -171.44 105.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.693 HG21 ' HG ' ' A' ' 141' ' ' LEU . 1.5 m -138.88 161.81 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 117' ' ' ILE . 5.2 mt-30 -147.17 128.62 14.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -116.1 143.09 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.512 ' N ' HG13 ' A' ' 101' ' ' ILE . 9.2 t-20 -148.86 117.06 6.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.612 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 17.8 p-10 -76.64 78.49 3.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 77.16 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 34.4 t70 -158.22 -51.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.608 ' CB ' ' O ' ' A' ' 105' ' ' ASP . 16.0 t0 90.9 -172.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 111' ' ' LYS . 6.4 p -152.1 -61.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' THR . 3.0 t30 -39.89 -27.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.575 ' HG2' ' CE1' ' A' ' 110' ' ' TYR . 9.2 tt0 -124.49 -14.36 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.666 ' CG ' ' O ' ' A' ' 105' ' ' ASP . 5.1 m-85 -125.96 -168.47 1.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.789 ' O ' HG22 ' A' ' 107' ' ' THR . 3.4 tttt -79.87 -94.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.573 ' O ' ' HA ' ' A' ' 127' ' ' SER . 5.7 p-80 174.17 78.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.769 ' HB2' HG21 ' A' ' 53' ' ' VAL . . . -138.0 164.39 29.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.756 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.5 152.23 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.419 ' C ' HD13 ' A' ' 116' ' ' ILE . 2.2 mt-10 -84.72 101.85 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -89.58 107.06 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 100' ' ' GLN . 58.6 mt -101.24 86.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.244 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.147 HD13 ' CD2' ' A' ' 95' ' ' PHE . 3.4 pp -90.26 161.11 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.694 ' O ' HD12 ' A' ' 118' ' ' LEU . 17.6 tttp -45.37 175.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.069 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.574 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 8.1 t0 76.37 -0.33 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.89 60.65 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -137.85 124.77 21.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 83.1 p -100.76 150.23 23.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.066 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.671 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.8 OUTLIER -134.71 -179.94 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.728 HG22 ' HB1' ' A' ' 113' ' ' ALA . 7.4 mm -138.62 79.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.783 ' CD2' HD22 ' A' ' 50' ' ' LEU . 10.2 m-30 -73.95 124.25 25.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.573 ' HA ' ' O ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -103.64 113.32 26.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.015 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.175 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -114.76 132.29 56.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.168 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -106.62 19.47 20.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 133' ' ' GLU . 1.0 OUTLIER -131.66 110.74 11.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -45.58 -37.19 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -72.41 -37.49 68.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.805 ' O ' ' N ' ' A' ' 137' ' ' TRP . 18.0 mt-10 -62.33 -51.3 68.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.1 OUTLIER -52.32 -43.78 64.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.391 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.513 ' O ' ' HG3' ' A' ' 138' ' ' MET . 0.7 OUTLIER -69.31 -47.54 64.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.8 OUTLIER -76.19 -13.35 60.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.175 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 32.6 m0 -83.44 -43.36 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 108.059 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.533 ' HA ' HG21 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -82.91 -35.33 26.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -65.18 -43.76 90.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.411 ' HB1' HD11 ' A' ' 63' ' ' LEU . . . -59.93 -42.72 94.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.693 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.68 -46.75 62.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 101' ' ' ILE . 18.6 mm -66.82 -20.23 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 139' ' ' ALA . 2.4 m -70.17 -44.18 69.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.152 HD21 ' CD1' ' A' ' 45' ' ' ILE . 73.7 mt -70.38 -58.39 3.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.559 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -47.75 -23.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.861 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.4 OUTLIER -75.47 -29.95 59.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.3 OUTLIER -83.95 45.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.4 27.03 2.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -172.16 -38.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.861 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.575 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -101.28 40.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -178.35 26.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.069 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.3 pp -122.5 -151.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.455 ' OD2' ' CZ ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -153.67 -79.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.607 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -117.98 23.68 9.22 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.607 ' C ' ' O ' ' A' ' 31' ' ' GLY . 47.9 t-105 . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.426 ' CZ ' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.449 0.166 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.827 HD12 HD21 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -67.54 -72.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.656 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -130.54 115.93 17.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.509 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 2.3 pt-20 -101.01 123.89 45.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.11 161.23 34.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.07 116.65 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.349 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.925 HD13 HG13 ' A' ' 61' ' ' ILE . 3.7 mp -110.88 140.88 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.568 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -93.09 137.24 32.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 6.8 ttp-105 -88.24 107.75 18.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.4 t -92.34 76.26 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.692 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -162.19 24.24 0.22 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 163.55 -23.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER 98.75 82.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 82.3 m-70 -164.04 143.75 7.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.56 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 73' ' ' SER . 20.6 tt0 -111.21 167.79 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.603 ' NH2' HG12 ' A' ' 124' ' ' VAL . 4.6 ptt180 -163.09 123.62 2.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -71.42 95.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.574 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.925 HG13 HD13 ' A' ' 50' ' ' LEU . 41.4 mm -63.65 153.99 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.384 1.052 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 61' ' ' ILE . 10.0 m-85 -168.06 84.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.121 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -77.15 131.9 38.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.367 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 69' ' ' ILE . 17.5 m-30 -103.05 160.77 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 111.022 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.501 ' CA ' HG13 ' A' ' 45' ' ' ILE . 2.4 t0 -73.0 5.34 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -119.38 -29.89 1.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -176.43 161.16 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.243 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.686 ' CE ' HD11 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -79.52 123.21 27.36 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.562 HG13 ' CE2' ' A' ' 64' ' ' PHE . 18.2 mm -121.64 122.89 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.555 ' HB3' HD13 ' A' ' 61' ' ' ILE . 8.3 m -120.22 133.86 55.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 108.299 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 60' ' ' HIS . 2.3 m -107.97 121.53 44.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 108.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -74.17 133.01 42.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.58 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 58.3 p -128.9 122.33 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m120 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.069 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.583 ' C ' ' O ' ' A' ' 86' ' ' ALA . 10.5 mt-10 -22.85 -56.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.357 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 73' ' ' SER . 2.9 m-85 -94.9 149.29 21.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.455 ' CZ ' ' OD2' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -97.34 124.5 41.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.029 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -57.67 153.27 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.668 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -139.37 125.04 19.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.51 116.69 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 9.8 mttt -132.66 76.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CA ' HD13 ' A' ' 67' ' ' LEU . 4.8 p90 -76.35 76.53 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.803 ' CE2' HD13 ' A' ' 118' ' ' LEU . 12.4 m-85 -132.95 -7.25 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.873 ' CB ' HD13 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -49.9 -38.85 37.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 111.052 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.475 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -60.63 -11.53 7.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.494 ' CG ' ' OE1' ' A' ' 145' ' ' GLN . 12.3 tttt -175.15 90.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 141' ' ' LEU . 5.5 m -110.2 -179.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -167.34 104.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.96 HD12 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -94.74 135.91 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.378 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.6 m-20 -126.77 77.57 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.639 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 3.6 p-10 -59.98 82.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.484 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . 9.8 tptt -90.0 77.54 6.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 106' ' ' ASP . 2.9 t70 -152.03 -148.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 105' ' ' ASP . 4.7 m-20 151.72 -9.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 106' ' ' ASP . 61.2 p 51.44 -146.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.591 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 3.2 m-80 45.55 18.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 108' ' ' ASN . 2.2 mt-10 -176.96 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -98.7 -169.79 1.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.628 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -84.02 -94.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.39 1.056 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.672 ' CD2' ' O ' ' A' ' 112' ' ' HIS . 0.6 OUTLIER -178.88 75.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 126' ' ' PHE . . . -157.3 168.81 26.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.664 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -156.87 161.77 39.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.527 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -90.88 130.99 36.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.96 HD12 HD12 ' A' ' 101' ' ' ILE . 2.7 mm -110.21 169.02 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' GLN . 29.9 mt -154.81 94.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.803 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -101.4 104.34 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.772 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER 23.4 -152.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' A' ' 119' ' ' LYS . 22.3 t0 26.55 36.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 119' ' ' LYS . 5.3 tt0 33.3 36.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.503 ' HB3' HD11 ' A' ' 118' ' ' LEU . 5.7 m-20 -100.39 122.3 42.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -102.63 166.32 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.603 HG12 ' NH2' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -146.36 173.98 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.247 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.855 HG21 ' O ' ' A' ' 53' ' ' VAL . 2.9 mp -134.64 78.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.73 ' CD2' HD22 ' A' ' 50' ' ' LEU . 2.9 m-85 -72.21 164.47 26.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.68 ' OG ' HG23 ' A' ' 53' ' ' VAL . 67.7 m -143.69 99.3 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.095 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.72 148.37 25.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -118.87 -6.51 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.553 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 3.3 t -107.28 111.94 24.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -43.05 -36.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -70.91 -46.21 62.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.724 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 5.9 mm-40 -60.72 -38.48 85.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -63.07 -36.76 84.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 21.1 t-20 -82.81 -36.74 25.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 0.8 OUTLIER -76.96 -26.13 53.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.095 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 40.2 m0 -70.05 -50.31 42.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 108.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.519 ' HA ' HG21 ' A' ' 101' ' ' ILE . 1.1 ppp? -74.25 -39.96 62.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.92 -40.77 98.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 136' ' ' ASN . . . -59.99 -46.84 88.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.686 HD11 ' CE ' ' A' ' 68' ' ' MET . 0.5 OUTLIER -67.0 -48.63 67.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.54 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 2.7 mm -64.04 -19.75 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -68.37 -42.76 78.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.121 HD11 ' CD1' ' A' ' 63' ' ' LEU . 82.2 mt -71.86 -63.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.494 ' OE1' ' CG ' ' A' ' 98' ' ' LYS . 37.4 tp60 -44.06 -24.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.954 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -73.65 -40.35 63.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.2 mtp180 -79.28 50.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.63 33.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.5 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.444 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.954 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.2 pp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.552 ' CD ' ' CE ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.552 ' CE ' ' CD ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -121.65 30.74 6.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.567 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 2.2 t-20 -137.43 -34.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.097 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.7 pp -54.24 -156.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' N ' HD12 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -142.81 -76.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.559 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.0 23.45 23.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.559 ' C ' ' O ' ' A' ' 31' ' ' GLY . 66.7 t-105 . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 47' ' ' GLU . 2.7 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.575 0.226 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.731 HG21 HD12 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -82.85 -78.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.616 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -134.39 137.65 44.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.6 ' HB2' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -107.52 116.64 32.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -159.17 165.66 34.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.087 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.555 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -123.36 121.17 35.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 0.731 . . . . 0.0 110.37 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.837 HD22 ' CD2' ' A' ' 126' ' ' PHE . 2.9 mp -112.84 146.68 38.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 127' ' ' SER . 0.9 OUTLIER -91.68 137.76 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.388 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -91.51 80.58 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.864 HG12 HG21 ' A' ' 125' ' ' ILE . 1.0 OUTLIER -58.59 173.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.626 ' N ' HG13 ' A' ' 53' ' ' VAL . . . 100.85 -1.98 55.47 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -172.13 -76.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 5.3 ptmt 160.25 71.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -135.26 148.82 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.62 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.586 ' O ' ' O ' ' A' ' 73' ' ' SER . 4.8 mp0 -141.82 152.96 44.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -163.35 152.62 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.555 ' CG ' ' HB ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -87.5 97.01 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.693 ' CG1' HD13 ' A' ' 50' ' ' LEU . 41.2 mm -69.3 113.84 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.6 ' CE1' ' HB2' ' A' ' 47' ' ' GLU . 1.5 m-30 -123.02 86.06 2.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.8 HD22 ' HE3' ' A' ' 68' ' ' MET . 0.3 OUTLIER -73.92 133.74 43.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' A' ' 69' ' ' ILE . 19.6 m-30 -106.64 157.71 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.487 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -72.55 58.3 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.56 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 174.48 -35.84 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' A' ' 94' ' ' PHE . 15.5 mt -164.79 125.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.8 ' HE3' HD22 ' A' ' 63' ' ' LEU . 1.6 ttm -68.51 135.86 52.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 64' ' ' PHE . 38.3 mm -119.16 151.75 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 4.5 m -142.39 107.95 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 12.6 p -83.17 111.4 18.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 59' ' ' ARG . 10.6 tttt -58.08 137.06 57.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.599 ' OG ' ' CE2' ' A' ' 88' ' ' TYR . 5.0 m -139.79 147.37 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.097 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.0 mt-10 -36.18 -50.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.599 ' CE2' ' OG ' ' A' ' 73' ' ' SER . 13.2 m-30 -80.17 -177.8 6.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -133.75 112.53 11.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.368 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.0 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.73 140.9 54.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.517 ' N ' HD22 ' A' ' 90' ' ' LEU . 19.4 tttt -127.75 145.66 50.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -88.2 117.25 26.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -123.07 97.57 5.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.224 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.764 ' HA ' HD22 ' A' ' 67' ' ' LEU . 39.9 m-85 -67.32 80.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.841 ' CD2' HG11 ' A' ' 99' ' ' VAL . 6.9 m-85 -101.91 -45.34 5.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.441 ' HA ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -44.36 -20.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.447 ' N ' ' C ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -85.19 -50.75 7.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.28 142.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.841 HG11 ' CD2' ' A' ' 95' ' ' PHE . 16.3 m -145.36 -179.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 109.247 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 117' ' ' ILE . 2.8 tt0 -164.46 102.45 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.989 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -95.31 135.93 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.408 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -130.18 91.82 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.643 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 28.6 p-10 -68.5 79.58 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -104.23 79.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.528 ' OD2' HG23 ' A' ' 107' ' ' THR . 15.3 t0 -134.14 173.22 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.776 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.2 OUTLIER -148.47 17.6 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.648 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 12.51 -74.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.776 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.1 t30 -31.34 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.5 tt0 -110.73 -32.2 6.95 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.586 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.6 m-30 -104.12 -166.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.614 1.196 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.592 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -84.18 -88.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 128' ' ' ALA . 1.5 t-160 -175.42 78.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 127' ' ' SER . . . -167.87 161.08 12.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.682 ' HD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -135.79 173.3 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.456 ' HG2' ' CB ' ' A' ' 104' ' ' LYS . 4.9 pt-20 -95.36 121.68 37.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.989 HD12 HD12 ' A' ' 101' ' ' ILE . 3.8 mm -98.71 164.95 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 117' ' ' ILE . 74.3 mt -148.4 79.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.623 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 3.0 pp -82.26 172.83 12.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.8 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.92 17.19 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 45.26 68.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -138.41 125.85 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 150.39 20.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.55 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -137.68 174.78 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.864 HG21 HG12 ' A' ' 53' ' ' VAL . 4.5 mm -133.56 82.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.837 ' CD2' HD22 ' A' ' 50' ' ' LEU . 12.2 m-30 -75.69 145.18 41.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.758 ' HB2' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -124.51 111.52 15.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.97 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.111 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.19 143.87 41.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.67 -4.89 14.01 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.49 112.43 24.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.34 -37.84 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -68.7 -42.62 77.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.71 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 11.3 mm-40 -62.43 -38.67 90.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -60.94 -36.83 80.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 138' ' ' MET . 58.0 t30 -84.0 -37.27 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.509 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 1.1 m-20 -77.38 -21.83 52.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.111 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 37.9 m0 -74.57 -50.31 18.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 108.002 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.446 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -71.66 -52.43 17.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.388 1.055 . . . . 0.0 111.009 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.446 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -52.13 -44.32 64.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 136' ' ' ASN . . . -59.46 -37.87 79.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.676 HD22 ' HB ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -68.99 -52.59 27.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.29 -17.3 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 t -69.93 -42.65 72.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 95' ' ' PHE . 15.8 mt -67.85 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.778 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -46.9 -23.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.256 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.828 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.2 OUTLIER -72.84 -31.17 64.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -86.16 43.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.251 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.3 31.95 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.29 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.582 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 47.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.432 ' N ' ' HA ' ' A' ' 86' ' ' ALA . 2.5 t30 178.56 24.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.902 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.3 pp -131.52 -135.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.522 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -176.15 -80.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.571 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -100.38 11.2 59.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.55 ' C ' ' O ' ' A' ' 31' ' ' GLY . 53.3 t-105 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.641 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 25.0 p90 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.476 0.179 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.973 ' HB ' HD23 ' A' ' 63' ' ' LEU . 2.7 mt -97.27 -68.12 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.702 ' HG3' HD22 ' A' ' 63' ' ' LEU . 4.5 mtp -89.7 109.63 20.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.52 ' CG ' ' CD1' ' A' ' 44' ' ' PHE . 4.8 mm-40 -110.52 83.89 1.84 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -163.38 175.01 39.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.584 ' HB ' ' CD2' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -122.16 120.48 34.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 0.723 . . . . 0.0 110.433 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 HG13 ' A' ' 61' ' ' ILE . 4.3 mp -109.32 133.68 52.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.624 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.9 OUTLIER -78.91 135.83 37.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.361 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -93.66 93.64 8.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.758 HG21 ' CB ' ' A' ' 113' ' ' ALA . 1.4 t -74.94 -175.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.746 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . 93.22 11.55 58.41 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 54' ' ' GLY . . . 89.58 59.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.44 ' CB ' ' HD2' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -138.77 -111.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.474 ' CD2' ' HA ' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -174.8 -174.7 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.609 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 4.9 mt-10 -70.26 161.6 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.496 ' NH2' HG11 ' A' ' 124' ' ' VAL . 25.6 mtm180 -159.72 113.6 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.646 ' ND1' ' CE2' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -68.05 120.82 14.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.899 HG13 HD13 ' A' ' 50' ' ' LEU . 39.0 mm -95.82 127.35 47.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CE1' ' OE1' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -136.17 81.43 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.042 HD21 HD11 ' A' ' 144' ' ' LEU . 0.7 OUTLIER -71.78 127.73 33.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.7 m-30 -101.63 143.12 31.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.8 t0 -54.68 -17.06 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.439 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . -95.59 -39.37 4.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 64' ' ' PHE . 56.7 mt -157.27 178.47 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 0.714 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.845 ' HB2' HD12 ' A' ' 63' ' ' LEU . 13.5 ttm -103.83 114.15 28.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 69' ' ' ILE . 9.4 mm -110.07 139.63 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.652 ' SG ' HD12 ' A' ' 61' ' ' ILE . 75.5 m -142.9 112.51 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 108.234 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 15.2 p -96.21 129.03 43.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -75.51 144.86 41.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.577 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 36.2 t -130.38 97.38 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.178 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.474 ' HA ' ' CD2' ' A' ' 57' ' ' HIS . 1.9 m-80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.902 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.7 mt-10 -32.12 -41.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.646 ' CE2' ' ND1' ' A' ' 60' ' ' HIS . 3.1 m-85 -112.3 138.55 48.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -81.43 116.65 21.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.027 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.94 151.61 14.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.695 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -137.92 123.05 19.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 123.69 20.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.677 ' O ' ' HB3' ' A' ' 68' ' ' MET . 22.1 mttt -148.44 73.48 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 42.7 p90 -78.24 76.2 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.652 ' CE2' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -130.28 0.32 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.582 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.61 -19.71 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -89.71 -4.17 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 119.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.866 HG21 ' HG ' ' A' ' 141' ' ' LEU . 1.2 m -145.65 179.46 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -164.54 109.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.225 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.666 HD12 HG12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -98.32 138.61 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 104' ' ' LYS . 20.6 t30 -128.58 80.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.616 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 23.7 p-10 -60.8 82.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -107.76 79.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 28.4 t0 -132.63 169.68 16.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.765 ' O ' ' N ' ' A' ' 108' ' ' ASN . 4.6 t0 -139.65 9.68 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.623 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 16.07 -77.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.765 ' N ' ' O ' ' A' ' 106' ' ' ASP . 93.8 m-20 -32.6 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.2 tt0 -113.91 -27.64 7.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.564 ' O ' ' O ' ' A' ' 107' ' ' THR . 14.0 m-30 -107.03 -168.56 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -77.87 -93.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.545 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.8 OUTLIER -176.74 75.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.574 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.934 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -165.29 163.11 20.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.616 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -137.43 176.9 8.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.36 124.27 45.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.666 HG12 HD12 ' A' ' 101' ' ' ILE . 4.3 mp -118.13 141.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 17.8 mt -131.64 117.67 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.652 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -93.82 145.1 24.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.482 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -37.28 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.643 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 4.6 t0 -43.69 -22.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.556 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 7.5 tt0 90.2 24.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.494 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 3.6 t-20 -122.73 167.57 13.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 8.0 p -118.97 166.32 13.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 109.968 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.496 HG11 ' NH2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -149.4 176.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 20.3 mt -141.3 84.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.591 ' HB2' HD11 ' A' ' 116' ' ' ILE . 4.4 m-85 -80.35 144.39 32.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.934 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -124.25 108.75 12.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.139 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -108.0 146.06 33.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 9.92 14.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.2 112.32 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' A' ' 134' ' ' LYS . . . -47.23 -27.97 1.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -77.08 -44.99 28.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.374 1.046 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.776 ' O ' ' N ' ' A' ' 137' ' ' TRP . 15.5 mt-10 -63.65 -43.74 95.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 131' ' ' ALA . 9.7 pttt -57.42 -37.76 73.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.473 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 2.4 t30 -81.7 -40.13 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.2 m-80 -77.36 -21.04 53.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.139 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 36.5 m0 -73.31 -45.64 54.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.111 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -80.65 -48.31 12.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.445 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -52.3 -48.2 65.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.65 ' HB3' ' SD ' ' A' ' 46' ' ' MET . . . -55.65 -42.48 75.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.866 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -66.18 -52.51 47.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.63 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 19.4 mm -64.15 -17.38 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.065 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 139' ' ' ALA . 7.6 t -69.01 -46.36 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.042 HD11 HD21 ' A' ' 63' ' ' LEU . 17.7 mt -69.4 -61.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.6 tt0 -47.1 -22.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.355 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.63 ' CE1' ' CG2' ' A' ' 142' ' ' ILE . 0.9 OUTLIER -75.88 -26.69 57.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 111.092 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 144' ' ' LEU . 19.0 mtp85 -86.06 7.71 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.19 29.63 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -174.94 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -94.63 32.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.419 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 1.8 t-20 -160.97 22.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.366 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.714 HG22 ' CB ' ' A' ' 90' ' ' LEU . 1.8 pp -122.05 -128.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' N ' HD12 ' A' ' 29' ' ' ILE . 2.5 t70 -165.13 -72.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.647 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -126.3 16.91 6.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.647 ' C ' ' O ' ' A' ' 31' ' ' GLY . 32.7 t-105 . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.511 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 35.4 p90 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.522 0.201 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.485 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 3.4 mm -53.05 -61.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.515 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 1.1 ptm -144.14 142.61 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 15.0 pt-20 -119.93 119.13 32.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ILE . . . -155.7 166.55 32.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.747 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -120.14 118.82 31.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.392 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.908 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.4 OUTLIER -115.09 142.7 46.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -77.59 121.87 24.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HD3' ' HB3' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -83.28 98.0 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.805 HG21 ' HB3' ' A' ' 113' ' ' ALA . 2.0 t -74.27 -176.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.71 ' H ' HG12 ' A' ' 53' ' ' VAL . . . 75.65 1.39 66.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.611 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -150.01 -42.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 0.775 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 1.3 tttt 96.11 67.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.586 ' CE1' ' ND2' ' A' ' 74' ' ' ASN . 91.5 m-70 -161.41 167.81 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.632 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 73' ' ' SER . 1.3 mp0 -112.28 158.11 20.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.511 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 21.2 mtm180 -148.31 117.21 6.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' CYS . 1.4 t60 -66.96 92.06 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.554 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.161 HD11 ' CZ ' ' A' ' 126' ' ' PHE . 17.3 mm -59.64 153.36 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -170.72 90.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.391 1.057 . . . . 0.0 110.99 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.974 HD13 HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -88.81 129.07 35.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.483 ' CE2' HG12 ' A' ' 69' ' ' ILE . 16.7 m-85 -99.75 151.72 20.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.421 1.076 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.465 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 7.6 t0 -59.57 -16.86 28.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.809 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -91.59 -36.62 6.43 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.809 HD23 ' O ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -174.32 147.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 0.802 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -78.94 138.09 37.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.94 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.797 ' C ' HD12 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -147.89 136.86 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.607 ' N ' HD12 ' A' ' 69' ' ' ILE . 13.5 p -109.36 154.79 22.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 60' ' ' HIS . 3.9 m -118.45 107.46 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -73.57 121.32 20.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 58' ' ' GLU . 11.9 p -123.43 105.79 10.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.075 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.586 ' ND2' ' CE1' ' A' ' 57' ' ' HIS . 1.7 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.56 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' ALA . 14.2 mt-10 -35.8 -49.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 86' ' ' ALA . 8.9 m-85 -83.62 -160.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -141.38 136.14 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.009 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -93.76 156.02 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.685 ' N ' HD22 ' A' ' 90' ' ' LEU . 4.6 tttt -139.89 100.44 3.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.545 ' HG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -58.54 132.25 53.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 68' ' ' MET . 0.8 OUTLIER -136.55 75.41 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.655 ' CD1' HD13 ' A' ' 67' ' ' LEU . 20.0 m-85 -60.91 79.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.039 ' CE2' HD13 ' A' ' 118' ' ' LEU . 13.2 m-85 -139.93 6.47 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.891 ' HA ' HD13 ' A' ' 144' ' ' LEU . 1.3 tmt? -57.04 -14.1 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 98' ' ' LYS . 9.5 ttt180 -97.1 -7.11 33.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 110.241 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 2.4 mttt -175.06 130.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.662 ' CG2' HD23 ' A' ' 141' ' ' LEU . 2.4 m -151.99 -179.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' A' ' 117' ' ' ILE . 6.2 mt-30 -158.27 76.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.839 HG12 HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -77.67 135.78 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.2 m-20 -128.3 75.54 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.787 ' HA ' ' HB2' ' A' ' 114' ' ' PHE . 11.8 p-10 -59.22 78.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -107.01 71.75 0.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.57 ' HB3' ' N ' ' A' ' 114' ' ' PHE . 2.4 p-10 -128.4 -152.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.602 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 2.9 m-20 -170.21 -173.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 108' ' ' ASN . 5.7 t -177.82 -149.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.445 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.588 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 64.5 t30 50.39 16.61 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.588 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 9.6 tt0 153.73 -20.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.602 ' CD2' ' HB2' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -95.84 -167.37 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.408 ' H ' ' H ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -163.2 -17.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.567 ' O ' ' HB2' ' A' ' 105' ' ' ASP . 13.8 t-160 -53.2 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.805 ' HB3' HG21 ' A' ' 53' ' ' VAL . . . -50.02 -179.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.821 ' HZ ' HD23 ' A' ' 50' ' ' LEU . 44.7 p90 -102.95 165.64 10.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -107.75 144.07 35.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.839 HG23 HG12 ' A' ' 101' ' ' ILE . 2.6 mp -118.81 156.59 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 100' ' ' GLN . 56.5 mt -148.18 103.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.039 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -106.64 176.15 5.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.519 ' CB ' ' CD1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -51.49 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 6.4 m-20 60.87 13.06 4.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 49.51 72.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 1.0 OUTLIER -139.2 141.71 37.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.559 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -119.5 159.49 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.546 ' HB ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -142.96 178.85 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.496 ' CG2' ' HB ' ' A' ' 53' ' ' VAL . 6.9 mt -142.81 84.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 1.161 ' CZ ' HD11 ' A' ' 61' ' ' ILE . 8.6 m-85 -96.56 136.42 37.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.628 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -108.24 126.74 53.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.074 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -111.78 140.63 46.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -114.63 13.48 17.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.47 ' CB ' ' HG3' ' A' ' 133' ' ' GLU . 1.2 m -130.72 113.68 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.491 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -47.63 -35.59 9.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -74.25 -38.87 63.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.805 ' O ' ' N ' ' A' ' 137' ' ' TRP . 29.1 mt-10 -62.54 -48.26 80.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.543 ' O ' ' HG2' ' A' ' 138' ' ' MET . 10.2 ptmt -53.87 -44.64 70.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.1 t30 -70.11 -46.28 65.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -75.94 -15.22 60.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.074 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 29.0 m0 -80.14 -40.96 26.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 108.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.627 ' HA ' HG21 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -89.8 -35.21 15.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -61.81 -46.76 88.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -56.04 -49.2 74.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.662 HD23 ' CG2' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -66.1 -47.65 73.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.525 HG12 HG22 ' A' ' 101' ' ' ILE . 13.8 mm -61.49 -22.53 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 139' ' ' ALA . 5.9 t -69.36 -38.49 78.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.068 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.974 HD11 HD13 ' A' ' 63' ' ' LEU . 82.5 mt -68.75 -62.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.522 ' HB2' HG22 ' A' ' 99' ' ' VAL . 40.5 tp60 -47.06 -22.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.861 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.9 OUTLIER -82.39 -40.05 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -77.21 51.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.629 1.206 . . . . 0.0 110.345 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.35 33.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -179.55 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.861 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.539 ' N ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -116.98 42.19 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.601 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m-20 -148.3 -30.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.064 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -56.37 -161.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -145.69 -84.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -104.19 8.95 49.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.579 1.175 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 34.4 t-105 . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.425 ' CE1' ' HE1' ' A' ' 64' ' ' PHE . 11.3 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.519 0.2 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.876 HD12 HD21 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -42.69 -65.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.59 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -138.24 135.51 35.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.598 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 1.9 mp0 -115.2 115.93 27.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -163.74 163.32 35.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.468 ' HB ' ' CD2' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -115.79 121.45 42.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 0.744 . . . . 0.0 110.414 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 HG13 ' A' ' 61' ' ' ILE . 3.8 mp -112.79 144.89 41.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -100.84 144.37 29.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.403 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.7 ttp85 -93.35 102.53 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.845 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -77.67 71.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.715 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -149.72 7.09 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 159.87 39.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 0.722 . . . . 0.0 109.352 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 55' ' ' ALA . 4.6 pttm 44.39 75.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -137.71 144.62 41.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 24.9 mt-10 -114.41 163.24 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -160.82 126.24 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -79.64 101.9 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.634 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.899 HG13 HD13 ' A' ' 50' ' ' LEU . 27.8 mm -78.98 143.15 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CD2' ' O ' ' A' ' 61' ' ' ILE . 17.1 m-85 -164.4 89.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -87.95 130.71 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.931 ' O ' ' N ' ' A' ' 66' ' ' GLY . 5.1 m-85 -115.45 73.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.481 ' CA ' HG13 ' A' ' 45' ' ' ILE . 25.2 t0 38.76 -71.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.931 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -36.14 -44.39 0.78 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -175.08 156.3 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.64 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -87.07 121.53 29.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 91' ' ' LYS . 29.1 mm -107.75 141.8 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 4.6 m -125.49 122.3 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 108.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.3 m -89.8 138.12 31.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -87.84 112.72 22.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.564 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.2 t -117.42 100.33 7.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.064 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 86' ' ' ALA . 20.8 mt-10 -34.25 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 11.2 m-30 -108.9 -168.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.451 ' HG3' ' CB ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -142.76 118.33 10.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.694 HD22 ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.38 156.44 10.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.655 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.1 tppt? -140.06 151.77 45.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.49 120.96 30.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.622 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -139.97 79.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -62.48 80.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.922 ' CE1' HD22 ' A' ' 118' ' ' LEU . 3.1 m-85 -90.67 -37.66 13.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.569 ' HA ' HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -50.61 -17.71 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' PHE . 19.8 ttt180 -83.47 -52.65 6.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' C ' HG13 ' A' ' 99' ' ' VAL . 4.8 tttt -175.98 141.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.716 HG21 HD23 ' A' ' 141' ' ' LEU . 4.2 m -151.33 -177.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -160.03 79.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.862 HG12 HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -74.0 112.02 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -112.5 81.63 1.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.612 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 5.6 p-10 -78.36 113.28 16.21 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -129.75 75.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.264 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.91 178.42 4.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.767 ' O ' ' N ' ' A' ' 108' ' ' ASN . 44.9 m-20 -146.87 14.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER 14.83 -76.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.767 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -32.58 -32.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.6 tt0 -113.05 -28.55 7.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.584 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.7 m-30 -109.53 -166.28 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.739 ' O ' HG22 ' A' ' 107' ' ' THR . 0.2 OUTLIER -82.33 -95.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.54 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 4.9 t-80 -175.33 78.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.614 ' HB1' ' O ' ' A' ' 126' ' ' PHE . . . -158.46 164.27 36.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.612 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -143.03 164.14 30.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.591 ' C ' HD13 ' A' ' 116' ' ' ILE . 1.9 mt-10 -93.64 129.3 39.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.862 HD12 HG12 ' A' ' 101' ' ' ILE . 1.5 mm -110.38 156.6 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 100' ' ' GLN . 84.5 mt -147.8 129.65 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.922 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -122.48 136.99 55.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.362 1.039 . . . . 0.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.479 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -40.74 -30.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.5 OUTLIER -45.23 -22.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 4.9 tt0 91.18 39.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -146.23 154.23 41.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.392 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 92.3 p -120.39 164.39 16.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.67 173.28 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.824 HG22 ' HB ' ' A' ' 53' ' ' VAL . 4.8 mp -138.87 79.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.626 ' CD2' HD22 ' A' ' 50' ' ' LEU . 4.3 m-85 -69.69 153.43 43.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.599 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -139.14 103.58 4.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.114 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -102.64 163.36 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.56 -5.7 9.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.536 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -111.72 118.22 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -49.25 -29.42 5.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -76.36 -42.52 44.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.696 ' O ' ' N ' ' A' ' 137' ' ' TRP . 7.5 mm-40 -59.52 -44.58 93.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 11.4 pttt -59.22 -40.51 86.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 138' ' ' MET . 0.7 OUTLIER -75.79 -39.01 57.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -79.83 -17.57 52.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.114 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 35.8 m0 -78.22 -47.38 18.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 108.038 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.455 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -74.82 -46.91 33.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 111.059 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.455 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -55.36 -44.54 76.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.502 ' HB2' ' SD ' ' A' ' 46' ' ' MET . . . -58.9 -37.96 77.81 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.716 HD23 HG21 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -70.77 -52.62 19.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.528 HG12 HG22 ' A' ' 101' ' ' ILE . 25.6 mm -64.31 -20.9 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 139' ' ' ALA . 45.0 t -71.11 -38.41 72.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.085 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.876 HD21 HD12 ' A' ' 45' ' ' ILE . 22.9 mt -67.71 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.596 ' HB2' HG22 ' A' ' 99' ' ' VAL . 7.7 tm0? -45.7 -24.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.788 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.2 OUTLIER -72.34 -29.19 63.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -85.79 42.9 1.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 110.199 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.98 38.87 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.021 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 176.8 -35.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.0 51.02 1.03 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.511 ' O ' ' O ' ' A' ' 29' ' ' ILE . 6.3 t30 -173.61 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.08 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.2 pp -54.58 -158.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -141.49 -77.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.554 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -108.03 9.19 36.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 7.9 t-105 . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.608 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.447 0.165 . . . . 0.0 110.961 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.625 HG22 ' CG ' ' A' ' 46' ' ' MET . 0.6 OUTLIER -70.43 -74.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.76 ' HB2' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -133.85 139.5 46.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -115.21 135.49 54.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.87 170.97 43.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.095 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.794 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -123.92 114.67 20.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 110.405 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.896 HD13 HG13 ' A' ' 61' ' ' ILE . 3.4 mp -113.15 144.01 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -102.38 148.14 25.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.436 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.542 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.1 ttt180 -95.11 104.78 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.855 ' O ' HG12 ' A' ' 53' ' ' VAL . 2.1 t -81.38 73.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.729 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -160.9 23.88 0.25 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 160.22 -20.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 16.9 tttp 94.2 77.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' ' HB3' ' A' ' 55' ' ' ALA . 89.2 m-70 -140.79 149.96 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' SER . 39.7 tt0 -122.38 157.52 31.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.483 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 1.7 ptp85 -160.99 137.68 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.794 ' HA ' HG23 ' A' ' 49' ' ' THR . 2.5 t60 -83.71 89.83 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.665 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.896 HG13 HD13 ' A' ' 50' ' ' LEU . 34.2 mm -59.97 146.5 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 109.228 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -161.04 84.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.76 HD21 ' HB2' ' A' ' 46' ' ' MET . 0.6 OUTLIER -76.56 128.55 34.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 16.8 m-85 -103.88 153.77 20.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HA ' HG13 ' A' ' 45' ' ' ILE . 1.7 t0 -72.88 57.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 172.53 -30.39 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.563 HD22 ' CB ' ' A' ' 94' ' ' PHE . 24.5 mt -158.45 129.52 6.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.705 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -85.5 109.58 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.948 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 62' ' ' PHE . 1.2 tp -99.15 165.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -152.08 91.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.259 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 60' ' ' HIS . 5.3 m -67.64 110.96 3.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 108.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -71.53 161.86 30.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.627 ' CB ' ' CE2' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -158.35 110.5 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.08 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -35.69 -38.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.627 ' CE2' ' CB ' ' A' ' 73' ' ' SER . 4.3 m-85 -89.74 178.81 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -131.73 108.68 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.985 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.32 126.0 25.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.491 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -114.44 122.3 46.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 122.42 19.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 68' ' ' MET . 0.1 OUTLIER -139.6 77.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.676 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 45.0 p90 -82.83 75.79 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.705 ' CE1' ' HB3' ' A' ' 68' ' ' MET . 44.7 p90 -128.25 -15.82 4.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.982 ' HB2' HD13 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -38.64 -39.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 111.075 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.546 ' N ' ' HG2' ' A' ' 96' ' ' MET . 2.2 ttm180 -52.11 -18.43 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -173.63 99.57 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.664 HG12 ' CD2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -118.08 -178.99 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.547 ' N ' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -166.43 108.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.528 HG21 ' HA ' ' A' ' 138' ' ' MET . 0.1 OUTLIER -95.8 141.93 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.498 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -137.16 93.35 2.82 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.733 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 18.3 p-10 -62.63 80.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -102.94 93.24 4.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.652 ' CB ' ' O ' ' A' ' 113' ' ' ALA . 3.2 t70 175.48 -149.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.566 ' C ' ' HB2' ' A' ' 110' ' ' TYR . 0.3 OUTLIER 178.2 -160.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.988 HG22 ' O ' ' A' ' 111' ' ' LYS . 1.7 p -147.46 -57.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.474 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -45.66 -24.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.597 ' HG2' ' CE1' ' A' ' 110' ' ' TYR . 14.8 tt0 -131.05 -2.4 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 109' ' ' GLU . 4.7 m-85 -137.81 -168.1 2.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.988 ' O ' HG22 ' A' ' 107' ' ' THR . 0.6 OUTLIER -86.78 -93.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.547 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 0.9 OUTLIER -179.87 79.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.532 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.652 ' O ' ' CB ' ' A' ' 105' ' ' ASP . . . -152.9 -174.57 4.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.733 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -170.34 163.1 8.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.551 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -94.25 130.6 40.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.593 HG13 ' CD2' ' A' ' 126' ' ' PHE . 1.0 OUTLIER -103.18 167.13 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 100' ' ' GLN . 38.6 mt -153.25 104.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.682 ' HB2' ' CG ' ' A' ' 95' ' ' PHE . 2.2 pp -111.1 163.59 13.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -49.34 -178.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.68 12.12 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 53.23 79.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.504 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -153.11 129.13 10.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.36 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.6 p -110.71 157.08 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.051 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.6 t -137.16 174.36 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.696 HG22 ' HB ' ' A' ' 53' ' ' VAL . 28.2 mt -135.51 78.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.615 ' CD1' ' CB ' ' A' ' 50' ' ' LEU . 3.2 m-85 -71.81 152.56 42.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -134.27 102.63 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.935 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.062 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.03 152.59 20.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -9.86 12.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.5 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -110.78 117.01 32.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.37 -34.45 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -70.44 -39.26 74.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.721 ' O ' ' N ' ' A' ' 137' ' ' TRP . 6.4 mm-40 -60.96 -46.13 91.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -56.17 -44.44 79.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.2 t-20 -70.68 -42.63 70.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.7 OUTLIER -76.45 -16.82 59.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.062 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 36.6 m0 -80.61 -43.56 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -84.31 -35.74 23.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 111.019 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -64.45 -43.71 93.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.35 80.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.401 HD22 ' HB ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -72.05 -47.26 52.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.533 HG22 ' CE2' ' A' ' 146' ' ' TYR . 37.1 mm -65.76 -19.79 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -45.63 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.982 HD13 ' HB2' ' A' ' 96' ' ' MET . 53.3 mt -65.75 -59.15 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.448 ' CB ' ' H ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -50.35 -22.81 1.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.802 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -78.4 -36.22 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 51.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.02 29.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -177.52 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.802 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.6 pp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.252 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.518 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -101.29 33.85 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.598 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 1.2 t-20 -164.72 23.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.84 HG22 ' HB3' ' A' ' 90' ' ' LEU . 1.7 pp -110.46 -126.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -172.82 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.522 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -86.97 -10.23 72.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.522 ' C ' ' O ' ' A' ' 31' ' ' GLY . 11.7 t-105 . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.645 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 6.0 p90 . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.494 0.187 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.571 HG12 ' N ' ' A' ' 65' ' ' ASP . 18.3 mm -56.93 -67.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.377 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ptm -143.68 143.79 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.16 127.98 54.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.237 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.6 167.94 41.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.578 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -117.78 119.1 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.434 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.868 HD13 HG13 ' A' ' 61' ' ' ILE . 4.5 mp -111.64 137.92 48.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.438 HG22 ' HB2' ' A' ' 127' ' ' SER . 1.0 OUTLIER -85.49 140.08 30.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.2 OUTLIER -94.42 98.18 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.097 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.2 t -84.85 70.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -147.83 1.58 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 173.04 34.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.724 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 0.2 OUTLIER 48.38 79.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 51.2 m-70 -163.39 146.71 10.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.557 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.93 173.82 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -163.04 143.66 9.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.578 ' HA ' HG23 ' A' ' 49' ' ' THR . 3.5 t-160 -89.4 100.73 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.868 HG13 HD13 ' A' ' 50' ' ' LEU . 23.5 mm -77.56 147.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.605 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -160.45 94.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.931 HD21 ' CD1' ' A' ' 144' ' ' LEU . 19.9 tp -80.76 115.29 20.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.771 ' CE2' HG21 ' A' ' 69' ' ' ILE . 15.8 m-30 -95.53 146.64 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.571 ' N ' HG12 ' A' ' 45' ' ' ILE . 14.8 t0 -57.98 -14.13 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.4 -39.55 4.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.756 HD22 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -175.53 151.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.593 ' O ' HD12 ' A' ' 67' ' ' LEU . 20.7 ttt -82.45 140.78 33.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.771 HG21 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -142.86 150.49 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.66 ' SG ' HD12 ' A' ' 61' ' ' ILE . 50.4 m -138.84 123.75 18.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 108.25 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -96.94 140.84 30.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 89' ' ' ARG . 4.3 ptmm? -88.3 133.46 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.377 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.579 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 12.5 p -134.21 124.59 26.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.01 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.575 ' CB ' HD12 ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 86' ' ' ALA . 15.7 mt-10 -33.28 -50.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.598 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 18.9 m-30 -64.0 -167.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.507 ' HB2' ' CG ' ' A' ' 72' ' ' LYS . 4.7 mtm180 -147.06 105.72 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.84 ' HB3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -63.89 146.6 53.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -122.26 144.83 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.599 1.187 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 6.5 pt-20 -89.18 112.52 23.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.623 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 11.9 mttp -121.71 74.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.756 ' CZ ' HD22 ' A' ' 67' ' ' LEU . 55.0 m-85 -65.77 75.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 1.033 ' CE2' HD13 ' A' ' 118' ' ' LEU . 5.6 m-85 -135.01 1.16 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.456 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -56.52 -13.87 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 111.022 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.443 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -97.79 -8.21 28.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.238 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -174.47 129.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.765 HG22 ' HB3' ' A' ' 145' ' ' GLN . 4.3 m -148.55 -178.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.4 mt-30 -164.93 80.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.595 HD11 ' CE2' ' A' ' 114' ' ' PHE . 0.2 OUTLIER -75.87 137.58 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 115' ' ' GLU . 2.2 t-20 -134.58 79.45 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.894 ' HA ' ' HB2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -61.6 83.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -94.25 86.07 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -148.33 164.52 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.843 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -141.57 15.57 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.619 ' C ' ' O ' ' A' ' 106' ' ' ASP . 2.9 p 17.9 -73.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.442 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.843 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.9 m120 -33.05 -30.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.37 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.619 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.6 tt0 -114.14 -27.69 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CD1' ' HB2' ' A' ' 106' ' ' ASP . 9.0 m-85 -109.77 -167.6 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -82.96 -90.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.518 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -175.47 76.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.623 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.972 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -164.24 158.07 18.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.894 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 14.1 p90 -142.35 176.66 8.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -108.96 127.71 54.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.238 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 116' ' ' ILE . 3.6 mp -102.53 164.2 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.456 ' N ' HG22 ' A' ' 116' ' ' ILE . 48.1 mt -152.93 103.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.033 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -103.73 158.28 16.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -46.63 174.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.43 0.87 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.27 80.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -157.26 135.13 10.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.386 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 30.4 p -116.37 165.77 12.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.599 ' HB ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -143.22 178.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.814 HG21 ' O ' ' A' ' 53' ' ' VAL . 5.3 mp -138.83 82.91 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.703 ' CD2' HD22 ' A' ' 50' ' ' LEU . 5.8 m-30 -83.78 165.97 18.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.972 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -145.1 100.26 3.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.191 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -98.53 141.97 30.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -6.1 13.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.526 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 1.4 m -107.68 112.43 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.17 -35.32 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -73.53 -45.28 54.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.728 ' O ' ' N ' ' A' ' 137' ' ' TRP . 10.0 mm-40 -59.2 -44.38 92.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.5 OUTLIER -56.93 -42.33 79.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.579 ' O ' ' HE2' ' A' ' 138' ' ' MET . 36.0 t-20 -75.36 -41.41 56.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.0 OUTLIER -76.98 -15.74 59.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.221 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.191 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 35.5 m0 -81.2 -40.48 23.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 108.053 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.579 ' HE2' ' O ' ' A' ' 135' ' ' ASN . 0.3 OUTLIER -89.32 -36.23 15.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.047 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -64.54 -46.05 84.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.53 -46.74 77.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.579 HD11 ' CE ' ' A' ' 68' ' ' MET . 1.5 mp -67.01 -43.27 83.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.661 HD13 ' HG2' ' A' ' 145' ' ' GLN . 2.9 mm -67.97 -18.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 139' ' ' ALA . 19.2 t -71.54 -41.17 69.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.931 ' CD1' HD21 ' A' ' 63' ' ' LEU . 18.4 mt -71.66 -62.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.765 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -49.48 -21.51 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.542 ' CE1' HG23 ' A' ' 142' ' ' ILE . 0.4 OUTLIER -70.14 -27.74 64.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -93.32 17.84 10.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.91 30.23 4.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.74 -40.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' HB3' ' CE ' ' A' ' 27' ' ' LYS . 1.1 mm-40 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' CE ' ' HB3' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -102.95 57.69 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.651 ' ND2' ' CD2' ' A' ' 88' ' ' TYR . 1.1 t-20 -173.37 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.078 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.6 pp -52.97 -156.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.533 ' HB3' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -136.65 -71.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.552 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -115.93 8.02 19.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 111.063 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.552 ' C ' ' O ' ' A' ' 31' ' ' GLY . 8.9 t-105 . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' HE1' ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.503 0.192 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 63' ' ' LEU . 1.1 mm -74.85 -73.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.947 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -125.71 123.77 39.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 4.3 pm0 -110.74 113.12 25.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -168.98 165.46 38.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.401 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -117.49 125.01 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.921 HD13 HG13 ' A' ' 61' ' ' ILE . 3.3 mp -114.9 145.0 42.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.733 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.6 OUTLIER -95.07 124.78 39.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.456 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -77.56 85.08 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.828 HG12 HG21 ' A' ' 125' ' ' ILE . 1.1 t -60.04 174.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.643 ' N ' HG13 ' A' ' 53' ' ' VAL . . . 84.0 -17.92 24.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . -145.66 15.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' ALA . 16.1 tttp 37.89 76.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 13.1 m-70 -147.84 151.24 35.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.561 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 6.6 tt0 -110.88 158.99 18.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -160.74 123.33 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 102.65 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.921 HG13 HD13 ' A' ' 50' ' ' LEU . 43.1 mm -79.41 144.9 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.518 ' O ' HG22 ' A' ' 69' ' ' ILE . 12.3 m-85 -160.61 79.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.103 HD13 HD11 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -67.85 135.97 53.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.833 ' N ' HD12 ' A' ' 63' ' ' LEU . 17.2 m-85 -111.6 160.41 17.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -65.52 -9.75 28.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.37 -35.63 3.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -177.41 148.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 0.813 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.745 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -74.19 128.11 34.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 111.045 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 62' ' ' PHE . 1.1 tp -112.39 155.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 3.6 m -143.99 106.25 4.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 108.36 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 5.2 m -83.07 123.55 29.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 1.4 mttm -67.11 147.32 53.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 88' ' ' TYR . 17.4 t -151.1 104.9 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.078 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' ALA . 20.1 mt-10 -34.49 -44.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.651 ' CD2' ' ND2' ' A' ' 28' ' ' ASN . 11.9 m-30 -79.1 179.31 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 111.083 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 15.3 ttp85 -136.26 116.68 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.701 HD22 ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.92 143.66 47.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 5.5 tttp -124.75 146.22 49.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.78 120.26 33.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 19.1 mttt -138.47 86.6 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -58.66 91.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.647 ' HE2' HD11 ' A' ' 141' ' ' LEU . 3.6 m-30 -105.44 -40.41 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.486 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -45.88 -18.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 95' ' ' PHE . 16.0 tpt180 -85.99 -53.11 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 99' ' ' VAL . 11.3 tptt -174.66 144.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.665 HG22 ' HB3' ' A' ' 145' ' ' GLN . 5.1 m -150.44 175.54 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 117' ' ' ILE . 1.3 mt-30 -158.65 101.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.198 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 138' ' ' MET . 0.2 OUTLIER -95.12 141.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.486 ' N ' HG13 ' A' ' 101' ' ' ILE . 1.6 m-80 -130.22 79.98 1.93 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.603 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 19.5 p-10 -61.33 80.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -103.49 73.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 106' ' ' ASP . 0.4 OUTLIER -142.62 -161.42 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.138 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.669 ' C ' HG23 ' A' ' 107' ' ' THR . 3.1 p-10 165.68 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.669 HG23 ' C ' ' A' ' 106' ' ' ASP . 2.7 p 70.37 -5.17 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.433 1.083 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 106' ' ' ASP . 9.7 t-20 -62.4 -7.67 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -153.95 -22.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -110.02 -175.21 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.475 ' HE2' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -70.53 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.478 ' HA ' HG22 ' A' ' 107' ' ' THR . 0.5 OUTLIER -178.98 76.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.56 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 126' ' ' PHE . . . -156.6 158.22 36.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.603 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -128.12 178.24 6.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 111.092 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 22.2 pt-20 -106.19 128.35 53.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.735 ' CD1' ' CD2' ' A' ' 126' ' ' PHE . 1.4 mp -106.94 166.07 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 117' ' ' ILE . 33.0 mt -147.81 78.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.346 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 2.5 pp -79.71 176.57 9.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.481 ' O ' HD12 ' A' ' 118' ' ' LEU . 8.9 tptp -53.84 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 52.69 19.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 43.91 65.46 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -132.83 136.56 46.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -107.36 148.3 29.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.994 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -130.63 178.11 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.828 HG21 HG12 ' A' ' 53' ' ' VAL . 1.8 mp -141.32 85.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.735 ' CD2' ' CD1' ' A' ' 116' ' ' ILE . 3.9 m-85 -80.19 146.05 31.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.733 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -125.0 107.73 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.937 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.076 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -108.77 161.69 14.88 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -129.32 2.14 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.242 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.508 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 1.3 m -114.34 108.66 17.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.058 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 130' ' ' SER . . . -36.64 -39.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.18 -57.78 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.744 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 38.2 mm-40 -44.94 -40.45 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.914 ' HG2' ' HB3' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -62.1 -38.39 88.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.406 1.066 . . . . 0.0 109.38 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 30.8 t-20 -82.63 -37.79 24.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 140' ' ' ALA . 1.3 m-20 -75.19 -26.05 58.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.076 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 38.7 m0 -69.87 -48.55 58.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 1.165 . . . . 0.0 108.042 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.612 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -77.66 -48.89 15.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -53.15 -45.02 68.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 136' ' ' ASN . . . -58.53 -42.89 88.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.647 HD11 ' HE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -63.68 -46.63 84.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.491 HG12 ' CG2' ' A' ' 101' ' ' ILE . 3.5 mm -69.16 -16.68 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.3 t -68.45 -40.98 80.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.103 HD11 HD13 ' A' ' 63' ' ' LEU . 18.0 mt -70.05 -64.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.665 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -45.52 -23.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.908 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -68.42 -30.9 69.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -87.42 46.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.28 35.02 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.03 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.372 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.908 HD23 ' O ' ' A' ' 146' ' ' TYR . 2.1 pp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.616 ' HG2' ' CZ3' ' A' ' 32' ' ' TRP . 5.3 mt-30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -94.41 32.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.65 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 1.7 m-80 -164.07 24.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 30' ' ' ASP . 1.8 pp -112.29 -127.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.944 ' HB3' HD12 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -164.29 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.538 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -106.59 5.92 38.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.616 ' CZ3' ' HG2' ' A' ' 26' ' ' GLN . 13.6 t-105 . . . . . 0 C--N 1.326 -0.448 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.673 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 3.8 m-85 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.507 0.194 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.988 HD12 HD21 ' A' ' 144' ' ' LEU . 1.6 mt -105.83 -63.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.814 ' SD ' HD23 ' A' ' 63' ' ' LEU . 17.3 ptt? -125.56 132.92 52.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 2.1 pp20? -123.2 116.68 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -171.0 163.78 36.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.801 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -113.59 125.92 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 110.367 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.822 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -120.82 156.95 30.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.59 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.7 OUTLIER -103.21 122.82 45.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.5 ttt-85 -78.86 92.72 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.54 ' CG1' ' N ' ' A' ' 54' ' ' GLY . 0.9 OUTLIER -62.28 167.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.54 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 100.85 -18.32 55.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . -159.1 24.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.9 pttp 36.78 77.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.36 146.03 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.621 1.201 . . . . 0.0 109.635 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 73' ' ' SER . 12.4 tt0 -112.7 154.52 26.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HB3' ' HA ' ' A' ' 72' ' ' LYS . 11.1 ptp180 -163.94 128.46 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.409 ' CD2' ' HB ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -72.91 96.03 2.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.629 1.205 . . . . 0.0 109.643 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.793 ' CG1' HD13 ' A' ' 50' ' ' LEU . 38.6 mm -69.05 152.47 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.673 ' CE1' ' CD1' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -170.59 89.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.081 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.13 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -75.02 123.33 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.625 ' CE2' HG21 ' A' ' 69' ' ' ILE . 9.9 m-30 -98.31 148.21 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' O ' ' HE1' ' A' ' 96' ' ' MET . 6.7 t0 -57.08 -12.69 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.703 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -95.32 -41.73 3.89 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.96 HD13 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -175.84 150.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.356 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -67.64 134.19 50.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.814 HD13 ' N ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -137.69 133.44 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.814 ' N ' HD13 ' A' ' 69' ' ' ILE . 31.0 p -125.53 130.56 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.316 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 10.9 m -93.77 114.75 27.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -66.29 128.71 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.376 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.615 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 16.8 t -126.58 139.93 52.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 86' ' ' ALA . 32.5 mt-10 -30.47 -57.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.65 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 11.2 m-30 -64.86 -168.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.46 ' HB3' ' CG ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -146.96 115.98 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.07 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.3 153.86 17.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -138.07 109.91 7.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 1.3 mt-10 -69.04 130.47 42.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -134.03 76.65 1.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.96 ' CD1' HD13 ' A' ' 67' ' ' LEU . 2.0 m-85 -71.6 71.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.685 ' HD2' HD22 ' A' ' 118' ' ' LEU . 2.0 m-85 -138.6 -2.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.81 ' HB2' HD13 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -46.85 -40.82 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.444 ' N ' ' HG2' ' A' ' 96' ' ' MET . 46.4 ttt180 -64.27 -4.24 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.468 ' HG3' ' CB ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -171.19 101.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 95' ' ' PHE . 1.2 m -136.84 170.04 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.9 OUTLIER -151.86 122.51 7.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.553 HD12 ' CG1' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -116.26 138.52 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 115' ' ' GLU . 1.1 m120 -137.79 111.12 7.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -79.38 93.59 5.37 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.21 88.45 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -172.61 -149.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.517 ' C ' HG23 ' A' ' 107' ' ' THR . 1.3 t0 -158.09 -160.57 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.649 ' CG2' ' CG ' ' A' ' 112' ' ' HIS . 45.4 p -156.94 -144.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.582 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 0.7 OUTLIER 38.62 29.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.582 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 4.6 tt0 153.55 -25.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -105.24 -174.61 2.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.7 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -111.53 102.44 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.649 ' CG ' ' CG2' ' A' ' 107' ' ' THR . 0.2 OUTLIER -51.09 75.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.623 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.932 ' HB1' HG22 ' A' ' 125' ' ' ILE . . . -104.74 143.52 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.648 ' CD1' ' N ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -117.04 132.89 56.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.055 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.587 ' HA ' HD13 ' A' ' 125' ' ' ILE . 1.2 pt-20 -79.65 90.65 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.699 ' CD1' ' CD2' ' A' ' 126' ' ' PHE . 2.6 mp -77.73 158.55 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.582 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 26.3 mt -155.15 104.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.691 HD12 ' HB3' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -80.85 142.24 33.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.468 ' CB ' ' HG3' ' A' ' 98' ' ' LYS . 1.4 tmtt? -41.39 -28.84 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.646 ' CG ' ' CE1' ' A' ' 95' ' ' PHE . 8.1 t0 -51.21 -17.9 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 0.7 OUTLIER 92.27 16.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.691 ' HB3' HD12 ' A' ' 118' ' ' LEU . 25.0 t30 -102.69 167.47 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.609 1.193 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.44 ' C ' ' CG2' ' A' ' 124' ' ' VAL . 2.5 p -132.96 162.75 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.865 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -153.64 174.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.932 HG22 ' HB1' ' A' ' 113' ' ' ALA . 3.7 mm -143.59 82.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.699 ' CD2' ' CD1' ' A' ' 116' ' ' ILE . 22.3 m-30 -78.96 113.73 17.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.59 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -97.26 111.14 23.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.144 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -100.61 166.96 10.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.611 1.195 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -128.28 0.44 5.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.532 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 4.4 t -118.92 118.02 30.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.387 1.054 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 134' ' ' LYS . . . -48.3 -33.5 8.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -74.08 -45.15 51.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.242 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.691 ' O ' ' N ' ' A' ' 137' ' ' TRP . 9.4 mm-40 -62.15 -41.21 98.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -59.16 -38.37 79.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 5.8 t30 -80.24 -40.49 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.2 m-20 -77.13 -16.72 59.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.144 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 32.8 m0 -79.74 -44.62 20.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.538 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -82.92 -43.04 16.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.094 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -57.52 -46.84 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.456 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -55.3 -45.66 76.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.463 HD22 HG23 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -64.96 -49.99 68.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.443 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 1.1 mm -66.52 -17.31 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -68.18 -40.56 82.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.13 HD11 ' CD1' ' A' ' 63' ' ' LEU . 89.5 mt -71.42 -60.41 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -47.9 -22.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.544 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -73.51 -25.56 60.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.4 ttt85 -84.19 8.86 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.83 31.47 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -38.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.544 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.476 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 3.7 mt-30 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -89.55 11.14 20.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.387 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.69 ' ND2' ' CE2' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -128.4 -30.48 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.081 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.7 pp -56.08 -149.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.584 ' N ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -149.77 -68.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -118.24 12.31 12.72 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.638 ' C ' ' O ' ' A' ' 31' ' ' GLY . 41.1 t-105 . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.611 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 32.3 p90 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.542 0.211 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.69 HD11 ' OD1' ' A' ' 65' ' ' ASP . 4.1 mm -40.86 -56.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.641 ' CE ' HD23 ' A' ' 63' ' ' LEU . 2.3 ptt? -133.98 148.72 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.15 113.73 16.76 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -165.35 163.54 36.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.698 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -112.75 130.88 55.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.381 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.825 HD23 ' CE3' ' A' ' 137' ' ' TRP . 0.9 OUTLIER -127.61 160.95 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -115.65 125.51 52.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.389 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.2 OUTLIER -83.16 104.06 13.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.6 t -83.87 72.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.674 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -151.59 9.53 0.67 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 164.61 39.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 45.96 75.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.536 ' CD2' ' HD2' ' A' ' 72' ' ' LYS . 5.6 m-70 -133.07 135.45 45.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.609 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -143.73 138.22 28.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.752 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -175.86 -174.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.693 ' O ' HD13 ' A' ' 61' ' ' ILE . 6.7 m-70 -91.93 151.42 20.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.818 HD12 ' CB ' ' A' ' 70' ' ' CYS . 37.5 mm -126.26 128.31 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.448 ' O ' ' O ' ' A' ' 69' ' ' ILE . 3.6 m-85 -131.96 111.89 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.043 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -96.9 117.59 31.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.678 ' CE2' HG21 ' A' ' 69' ' ' ILE . 15.5 m-30 -87.3 150.46 23.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.69 ' OD1' HD11 ' A' ' 45' ' ' ILE . 2.2 t0 -67.41 0.75 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -111.17 -31.98 2.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.691 HD13 ' CA ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -172.13 138.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 109.252 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.617 ' N ' HD12 ' A' ' 67' ' ' LEU . 2.2 ttp -76.77 121.19 22.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.831 HG13 HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -126.56 145.72 33.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.818 ' CB ' HD12 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -136.61 126.56 25.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 108.257 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.752 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 6.0 p -100.51 102.98 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -93.32 150.53 20.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 109.233 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.637 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 7.1 t -146.89 165.71 28.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.081 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' ALA . 15.9 mt-10 -35.67 -54.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.69 ' CE2' ' ND2' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -78.05 -175.73 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -130.21 110.45 11.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.062 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -66.34 142.92 57.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.779 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -120.02 99.57 6.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.29 99.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.514 ' C ' ' CD1' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -106.0 78.97 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.691 ' CA ' HD13 ' A' ' 67' ' ' LEU . 3.4 p90 -78.6 70.64 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.901 ' CD2' HD13 ' A' ' 118' ' ' LEU . 4.3 m-85 -137.87 -6.85 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.978 ' CB ' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -43.83 -42.43 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -16.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -171.99 99.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.775 HG21 ' HG ' ' A' ' 141' ' ' LEU . 1.9 m -122.82 -178.78 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.457 ' O ' ' O ' ' A' ' 117' ' ' ILE . 1.0 OUTLIER -162.74 100.48 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.215 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.979 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -88.61 139.42 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 104' ' ' LYS . 12.1 t30 -123.7 79.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.622 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 21.0 p-10 -62.43 79.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -83.26 76.96 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.24 166.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.755 ' O ' ' N ' ' A' ' 108' ' ' ASN . 1.3 m-20 -178.12 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.643 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 15.32 -77.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.755 ' N ' ' O ' ' A' ' 106' ' ' ASP . 13.4 m-80 -32.25 -32.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.9 tt0 -114.98 -26.16 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.207 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.608 ' CD2' ' HB2' ' A' ' 106' ' ' ASP . 8.8 m-30 -108.76 -168.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -89.67 -80.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -175.69 79.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.55 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.921 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -169.21 167.31 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.622 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -137.12 169.97 16.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.24 124.94 43.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.979 HD12 HD12 ' A' ' 101' ' ' ILE . 2.7 mm -99.56 163.99 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.457 ' O ' ' O ' ' A' ' 100' ' ' GLN . 30.5 mt -151.41 94.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.901 HD13 ' CD2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -103.28 164.63 11.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -47.92 178.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.527 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 28.0 t0 66.64 8.93 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 52.87 74.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -149.96 122.26 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 71.4 p -100.38 150.28 22.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.428 ' C ' HG13 ' A' ' 125' ' ' ILE . 0.9 OUTLIER -125.86 172.32 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.398 1.061 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.685 HG22 ' HB ' ' A' ' 53' ' ' VAL . 3.2 mt -135.65 80.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD2' HG13 ' A' ' 116' ' ' ILE . 4.1 m-85 -79.67 133.46 36.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.921 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 35.8 m -111.67 110.76 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.188 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -116.26 146.21 42.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -111.07 -9.94 14.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.82 110.47 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.8 -35.7 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -69.34 -45.55 69.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.718 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -61.47 -39.3 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 138' ' ' MET . 7.7 ttpt -59.76 -36.97 77.75 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.522 1.139 . . . . 0.0 109.213 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 50.2 t-20 -84.77 -37.5 20.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.3 m-20 -75.61 -24.8 56.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.197 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.188 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 42.3 m0 -72.22 -48.94 39.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.005 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -76.1 -49.21 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -49.66 -43.59 47.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.486 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -60.68 -42.54 97.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.775 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -66.19 -48.48 70.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.429 HG12 ' CG2' ' A' ' 101' ' ' ILE . 5.5 mm -64.55 -20.43 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.52 -36.81 76.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.043 HD11 ' CD1' ' A' ' 63' ' ' LEU . 62.0 mt -70.28 -61.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.6 -22.18 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.216 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.608 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -74.75 -26.96 60.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.94 36.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.04 28.76 8.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.67 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.608 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.3 mm-40 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.53 53.46 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.639 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 2.9 t-20 -176.13 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.051 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.2 pp -59.63 -151.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.416 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -144.08 -74.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -111.22 14.38 28.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.491 ' C ' ' O ' ' A' ' 31' ' ' GLY . 47.8 t-105 . . . . . 0 C--N 1.325 -0.484 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.496 0.188 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.065 HD12 HD21 ' A' ' 144' ' ' LEU . 3.0 mt -75.51 -67.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.789 ' HG3' HG22 ' A' ' 45' ' ' ILE . 3.1 mtt -139.06 130.11 26.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 62' ' ' PHE . 11.5 pt-20 -109.45 137.5 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.92 162.21 34.39 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.419 1.074 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.565 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -112.22 112.91 24.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.847 HD22 ' CD2' ' A' ' 126' ' ' PHE . 4.1 mp -110.4 136.36 49.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.9 OUTLIER -90.39 130.92 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.439 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.527 ' HG2' HG12 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -86.23 80.71 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.887 HG12 HG21 ' A' ' 125' ' ' ILE . 1.0 OUTLIER -62.19 173.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.741 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . 104.15 10.25 34.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 54' ' ' GLY . . . 89.27 47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.24 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -121.94 -105.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 74' ' ' ASN . 0.2 OUTLIER -174.86 -175.89 0.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 6.8 mt-10 -85.16 164.76 17.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 71' ' ' CYS . 5.9 mtp180 -158.25 132.53 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.565 ' HA ' HG23 ' A' ' 49' ' ' THR . 3.0 t60 -85.36 92.42 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.76 ' CG1' HD13 ' A' ' 50' ' ' LEU . 39.5 mm -67.74 157.24 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -170.04 84.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.141 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -70.48 123.56 22.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.633 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 14.4 m-30 -100.52 153.14 19.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.487 ' N ' HG13 ' A' ' 45' ' ' ILE . 13.0 t0 -67.59 56.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.621 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 173.51 -41.24 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 66' ' ' GLY . 66.4 mt -164.19 128.76 2.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 0.724 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.664 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -88.2 141.1 28.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.954 HD13 ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -130.89 157.89 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.0 p -128.07 128.79 45.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.326 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 2.5 m -90.13 125.64 35.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.335 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.444 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 4.2 tttp -71.57 103.81 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.585 ' HA ' ' CD1' ' A' ' 88' ' ' TYR . 58.1 m -110.18 107.96 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.051 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 86' ' ' ALA . 19.7 mt-10 -34.48 -50.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.639 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 14.0 m-30 -88.71 -177.26 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -131.73 110.73 11.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.037 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -66.46 148.7 51.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.718 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -137.3 126.65 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.256 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.32 128.13 35.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.1 mptp? -138.32 88.37 2.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.565 ' HA ' HD22 ' A' ' 67' ' ' LEU . 65.0 m-85 -58.77 90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 141' ' ' LEU . 3.3 m-85 -104.2 -50.36 3.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.704 ' CA ' HD13 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -43.12 -21.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -82.33 -52.42 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.467 ' C ' HG13 ' A' ' 99' ' ' VAL . 8.1 tttp -173.94 148.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.645 HG22 ' HB3' ' A' ' 145' ' ' GLN . 11.4 m -154.79 -177.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.8 mt-30 -165.74 102.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 1.047 HD12 HD12 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -90.06 106.75 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 0.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.33 88.18 3.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.617 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 13.1 p-10 -69.46 95.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 109.216 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.05 80.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.688 ' CB ' ' O ' ' A' ' 113' ' ' ALA . 2.0 t70 -158.63 -148.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 107' ' ' THR . 1.5 t0 -172.62 -157.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 106' ' ' ASP . 17.3 p -158.49 -60.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -44.96 -23.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.254 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.56 ' HG2' ' CE1' ' A' ' 110' ' ' TYR . 33.7 tt0 -128.68 -10.14 5.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 109' ' ' GLU . 2.5 m-85 -129.01 -170.29 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.601 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 4.1 tttt -80.3 -96.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.601 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 24.3 p80 178.44 78.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.384 1.053 . . . . 0.0 109.617 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.688 ' O ' ' CB ' ' A' ' 105' ' ' ASP . . . -153.39 -172.58 4.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.617 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -170.63 166.61 8.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.885 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -85.63 120.27 26.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 1.047 HD12 HD12 ' A' ' 101' ' ' ILE . 1.3 mm -107.23 124.54 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 100' ' ' GLN . 21.6 mt -111.46 128.51 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.593 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -115.58 140.14 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -44.13 -25.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -57.02 -7.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 73.01 42.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.417 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -141.01 142.09 34.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -108.53 151.8 25.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.5 t -140.29 175.08 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.887 HG21 HG12 ' A' ' 53' ' ' VAL . 8.3 mt -130.63 80.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PHE . . . . . 0.847 ' CD2' HD22 ' A' ' 50' ' ' LEU . 10.2 m-30 -74.43 132.56 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -113.82 109.36 18.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.954 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.102 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -107.5 132.11 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.02 -4.09 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -108.75 108.77 19.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -42.9 -38.85 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -68.27 -42.59 79.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.722 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 13.2 mt-10 -61.84 -40.22 94.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 138' ' ' MET . 5.6 ttpt -61.18 -34.67 75.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 138' ' ' MET . 5.2 t-20 -85.07 -36.16 21.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 0.9 OUTLIER -79.74 -23.16 42.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 1.102 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 41.2 m0 -73.18 -50.01 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.003 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . 0.483 ' HA ' HG21 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -68.12 -54.31 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -51.62 -43.23 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 136' ' ' ASN . . . -61.24 -38.7 87.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.82 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -71.66 -52.91 15.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.51 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 10.9 mm -68.02 -15.04 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.173 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 139' ' ' ALA . 9.3 t -69.31 -45.42 69.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 1.141 HD11 ' CD1' ' A' ' 63' ' ' LEU . 24.8 mt -70.19 -63.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLN . . . . . 0.645 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -45.7 -24.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -72.09 -27.79 62.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -94.62 35.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.3 t -113.99 27.96 9.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.26 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.564 ' CB ' ' CH2' ' A' ' 32' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 1.4 p-10 -76.04 -46.61 28.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -81.25 -3.92 53.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.403 ' O ' HG13 ' A' ' 29' ' ' ILE . 7.6 mt -111.41 -26.8 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -57.61 -18.7 21.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.323 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HG3' ' CB ' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -101.32 43.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -177.04 21.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.779 HG22 ' HB3' ' A' ' 90' ' ' LEU . 2.0 pp -123.18 -130.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.497 ' HB3' ' CD1' ' A' ' 90' ' ' LEU . 1.3 t0 -165.78 -88.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.558 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -99.6 13.16 61.25 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.637 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 17.5 t-105 30.52 65.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HB2' HD21 ' A' ' 90' ' ' LEU . 6.5 mm-40 -57.33 162.05 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.57 155.58 26.48 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt -106.56 88.02 2.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 0.783 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 57.38 104.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' CYS . 7.6 pt -112.21 -33.46 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' HA2' ' CB ' ' A' ' 42' ' ' ASN . . . -55.29 -20.17 20.7 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -98.0 -23.95 15.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 110.299 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 13.8 m -91.18 -17.79 25.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER 159.89 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.279 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' CB ' ' HA2' ' A' ' 38' ' ' GLY . 64.0 t30 67.9 10.58 7.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -74.34 81.74 1.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.638 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 42.2 p90 -38.57 95.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.472 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 4.2 mt -54.98 -56.11 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.991 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -125.6 127.6 46.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.67 115.21 28.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.49 163.09 36.29 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.407 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -116.37 122.43 44.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.406 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.861 HD22 ' CD2' ' A' ' 126' ' ' PHE . 3.4 mp -113.93 145.23 41.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.604 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -97.82 140.48 32.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.365 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 2.1 ttm-85 -93.22 102.19 14.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 53' ' ' VAL . 3.1 t -78.05 70.61 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.707 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -148.5 7.05 0.94 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 160.58 40.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? 44.32 74.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -138.97 144.43 38.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.579 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 73' ' ' SER . 7.1 pt-20 -127.19 158.41 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.421 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 2.4 ptm180 -162.16 139.26 8.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 0.7 OUTLIER -81.25 97.59 7.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.555 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.754 HG13 HD13 ' A' ' 50' ' ' LEU . 50.5 mm -67.82 148.67 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.152 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.616 ' O ' HG22 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -158.03 85.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.997 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.991 HD23 ' HG2' ' A' ' 46' ' ' MET . 0.1 OUTLIER -72.15 114.45 10.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.729 ' CZ ' HG21 ' A' ' 69' ' ' ILE . 12.8 m-30 -91.45 151.68 20.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.435 ' CA ' HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -63.22 -1.95 1.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -111.15 -34.03 2.23 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -173.87 179.37 2.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.326 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.582 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -100.71 131.35 46.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -129.62 119.3 47.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.528 ' N ' HD13 ' A' ' 69' ' ' ILE . 10.6 m -105.29 114.49 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 108.298 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.475 ' SG ' ' CD1' ' A' ' 69' ' ' ILE . 8.8 m -86.6 102.29 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 108.303 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -57.57 149.97 20.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.584 ' OG ' ' CE2' ' A' ' 88' ' ' TYR . 0.1 OUTLIER -153.73 110.77 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.985 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -133.62 -60.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -130.63 -173.21 3.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -104.55 176.63 23.31 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -143.11 156.37 61.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 110.319 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -169.4 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.529 1.805 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.71 21.36 4.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.628 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 5.2 mt -65.75 -44.89 65.36 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -75.03 -1.12 10.82 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -95.65 29.37 9.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 66.33 93.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.268 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.96 177.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.474 ' CB ' ' HG3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER 171.31 51.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -105.86 56.54 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -41.94 -28.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.584 ' CE2' ' OG ' ' A' ' 73' ' ' SER . 13.5 m-85 -95.71 -164.93 1.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -153.16 110.55 3.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.779 ' HB3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.86 125.21 22.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' CYS . 0.1 OUTLIER -112.86 124.94 53.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.487 ' O ' ' CE ' ' A' ' 93' ' ' LYS . 1.0 OUTLIER -60.13 122.43 14.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.714 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -145.08 74.39 1.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 67' ' ' LEU . 7.0 p90 -89.27 77.74 7.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.257 ' CE2' HD22 ' A' ' 118' ' ' LEU . 2.2 p90 -140.55 -19.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.904 ' HB3' HD12 ' A' ' 144' ' ' LEU . 2.0 mmt -39.57 -28.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 95' ' ' PHE . 1.2 ttt180 -59.99 -9.99 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' PHE . 19.4 tttt -173.87 84.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.68 ' CG1' ' HA ' ' A' ' 96' ' ' MET . 5.9 m -98.13 -176.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -166.24 79.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.779 HD12 HD12 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -74.8 143.65 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.3 m-20 -141.81 89.68 2.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.651 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 12.2 p-10 -60.08 80.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 102' ' ' ASN . 12.7 tttm -100.63 80.06 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 5.9 t70 -142.61 178.21 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.792 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.5 OUTLIER -147.22 15.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.675 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.1 OUTLIER 13.69 -74.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.792 ' N ' ' O ' ' A' ' 106' ' ' ASP . 4.7 m-20 -32.35 -31.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.5 tt0 -113.32 -29.73 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.603 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.6 m-30 -107.85 -168.77 1.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.675 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -80.96 -91.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 128' ' ' ALA . 1.7 t-80 -175.38 76.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.615 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.615 ' HB1' ' O ' ' A' ' 126' ' ' PHE . . . -159.0 157.22 30.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.702 ' HD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -141.23 176.84 8.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.545 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -95.21 133.18 39.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.779 HD12 HD12 ' A' ' 101' ' ' ILE . 0.7 OUTLIER -116.17 116.66 53.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 100' ' ' GLN . 18.4 mt -102.15 89.46 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.257 HD22 ' CE2' ' A' ' 95' ' ' PHE . 4.5 pp -89.68 163.68 15.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.899 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -50.6 -175.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 21.4 t0 59.82 14.47 4.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 49.78 79.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.06 126.95 9.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.8 OUTLIER -102.44 141.19 35.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 125' ' ' ILE . 0.3 OUTLIER -125.23 179.07 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.793 HG22 ' HB ' ' A' ' 53' ' ' VAL . 51.9 mt -139.75 81.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.861 ' CD2' HD22 ' A' ' 50' ' ' LEU . 12.7 m-30 -73.13 157.69 36.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.604 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -139.23 104.61 5.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.95 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.122 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -105.03 160.3 15.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -132.17 7.42 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.512 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 1.6 m -120.99 110.83 16.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.987 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -41.96 -36.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -72.9 -45.69 56.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.681 ' O ' ' N ' ' A' ' 137' ' ' TRP . 35.6 mm-40 -59.15 -43.76 92.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.651 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -58.27 -40.1 80.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 4.1 t-20 -77.74 -40.55 40.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.7 OUTLIER -76.23 -18.13 59.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.122 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 35.4 m0 -78.18 -44.43 25.85 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.651 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.2 OUTLIER -84.17 -33.93 24.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -65.12 -43.9 90.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.91 91.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.575 HD23 ' HB ' ' A' ' 99' ' ' VAL . 0.3 OUTLIER -66.24 -45.93 78.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.532 HG23 ' CE1' ' A' ' 146' ' ' TYR . 14.5 mm -66.3 -17.94 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 146' ' ' TYR . 7.8 t -68.36 -51.97 38.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.904 HD12 ' HB3' ' A' ' 96' ' ' MET . 1.4 mt -71.67 -58.22 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 99' ' ' VAL . 3.6 tm0? -44.94 -25.35 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.583 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.6 OUTLIER -73.36 -28.22 61.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.3 ttp85 -82.38 7.6 13.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.52 32.9 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -176.97 -36.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.382 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.6 OUTLIER -109.67 -161.72 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.488 ' N ' HD12 ' A' ' 150' ' ' LEU . 7.9 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.453 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 2.2 mmt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.493 0.187 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 26' ' ' GLN . 1.8 p-10 -75.23 -59.0 2.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 25' ' ' ILE . 2.0 pt-20 -47.91 -24.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.358 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.41 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -73.87 -39.08 51.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.517 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 56.7 mt-30 -64.55 -11.95 39.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 110.26 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.8 OUTLIER -91.21 8.61 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.649 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 7.6 m-20 -127.89 -27.98 2.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.088 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.06 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.5 pp -57.41 -150.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.583 ' N ' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -160.68 -44.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.861 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -131.19 44.41 1.21 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.146 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.779 ' HE3' HG21 ' A' ' 29' ' ' ILE . 66.5 t-105 -30.45 127.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.01 -179.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.68 ' O ' ' C ' ' A' ' 35' ' ' LYS . . . -38.73 116.73 0.57 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.68 ' C ' ' O ' ' A' ' 34' ' ' GLY . 17.3 mmtt -10.44 91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 0.788 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.588 ' OD1' ' CD1' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -114.64 137.41 51.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.468 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -140.55 -48.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.42 33.9 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -95.97 -28.83 14.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 0.753 . . . . 0.0 110.375 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.407 ' O ' ' HA3' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -157.21 29.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 108.332 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.414 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 31.5 p 179.64 110.92 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 108.284 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 37' ' ' ILE . 2.7 t-20 -164.13 27.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ILE . 23.5 mt-10 -154.48 67.74 0.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.354 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 43' ' ' GLU . 4.5 p90 -34.17 96.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 111.015 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.585 HG21 HD21 ' A' ' 63' ' ' LEU . 1.1 mm -39.59 -51.56 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.924 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -139.32 138.76 36.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.976 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 1.2 pm0 -123.57 121.3 35.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -172.65 166.51 39.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.32 119.83 35.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.952 HD13 HG13 ' A' ' 61' ' ' ILE . 3.8 mp -109.52 139.04 45.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.558 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -89.8 143.66 26.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.343 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 10.8 ttt85 -94.88 99.27 11.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.869 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.4 t -82.61 75.63 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.687 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -164.57 24.71 0.18 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.687 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.49 -25.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.624 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 16.7 ttmt 98.54 76.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.468 ' NE2' ' ND2' ' A' ' 74' ' ' ASN . 6.3 m80 -149.86 150.27 31.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.613 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 19.4 mt-10 -111.76 154.89 24.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.508 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -148.32 114.25 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.518 ' N ' ' O ' ' A' ' 71' ' ' CYS . 4.8 t60 -68.6 90.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.952 HG13 HD13 ' A' ' 50' ' ' LEU . 12.6 mm -62.78 148.58 10.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.452 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 0.2 OUTLIER -166.74 78.41 0.21 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.924 HD23 ' HG2' ' A' ' 46' ' ' MET . 0.0 OUTLIER -69.29 131.17 44.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.828 ' N ' HD12 ' A' ' 63' ' ' LEU . 12.2 m-85 -107.49 141.65 38.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -46.6 -24.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 64' ' ' PHE . . . -85.98 -36.43 10.16 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.573 HD12 ' N ' ' A' ' 68' ' ' MET . 0.2 OUTLIER -174.19 157.4 2.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 0.737 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.678 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 4.1 tpt -83.42 118.8 23.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.972 HG13 HD23 ' A' ' 90' ' ' LEU . 0.5 OUTLIER -108.7 118.76 56.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.53 ' HB2' ' HE3' ' A' ' 68' ' ' MET . 3.8 t -103.91 95.37 5.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 108.362 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 60' ' ' HIS . 4.1 m -75.38 123.12 24.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 108.34 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.508 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 13.9 tttt -97.35 128.06 43.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 58' ' ' GLU . 84.1 p -125.19 136.56 53.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.468 ' ND2' ' NE2' ' A' ' 57' ' ' HIS . 13.3 t-20 -137.22 -61.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -173.23 -178.9 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.599 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.67 154.24 27.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' N ' ' HD3' ' A' ' 78' ' ' PRO . 1.1 pt20 -154.62 63.63 4.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.541 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -75.04 -169.1 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.541 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.1 OUTLIER 87.12 18.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.66 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 17.4 mt -71.45 -43.28 12.05 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.24 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -74.94 -2.5 12.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.03 -53.39 0.8 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.5 168.43 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.518 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.4 OUTLIER 72.67 -177.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.021 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 84' ' ' SER . 4.5 p30 153.89 91.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.066 . . . . 0.0 109.398 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.06 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 176.68 45.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 86' ' ' ALA . 32.8 mt-10 -29.31 -46.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.237 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.649 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 1.6 m-30 -92.2 -138.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.529 ' HA ' ' HB2' ' A' ' 30' ' ' ASP . 16.1 mtt85 -156.45 166.57 33.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 110.229 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.986 HD22 ' N ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -123.01 149.33 44.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.986 ' N ' HD22 ' A' ' 90' ' ' LEU . 2.7 mttt -130.16 108.03 9.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.38 118.43 5.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.641 1.213 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.627 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -143.19 86.39 1.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -69.17 79.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.721 ' CG ' HG11 ' A' ' 99' ' ' VAL . 4.9 m-30 -76.28 -43.19 42.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.517 ' N ' HD13 ' A' ' 144' ' ' LEU . 12.0 tmm? -41.55 -23.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 111.056 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -82.46 -53.51 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -178.66 143.13 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.868 HG22 ' HB2' ' A' ' 145' ' ' GLN . 10.4 m -142.94 -178.64 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -157.76 77.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 110.28 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -77.43 116.89 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.418 ' N ' HD13 ' A' ' 101' ' ' ILE . 4.8 t30 -119.8 100.73 7.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.641 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 22.2 p-10 -72.3 78.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.42 ' CB ' ' HG2' ' A' ' 115' ' ' GLU . 3.0 tptm -90.85 79.74 5.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 7.4 t0 -148.92 170.91 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.784 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -143.71 14.84 1.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.3 OUTLIER 15.69 -76.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.612 1.195 . . . . 0.0 110.446 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.784 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.9 m-20 -31.95 -32.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.7 tt0 -112.8 -30.26 7.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.546 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.9 m-30 -106.53 -163.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.053 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -86.08 -93.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.241 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.507 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -173.7 79.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.611 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.928 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -164.26 153.47 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.677 ' CD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -140.09 174.54 10.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.624 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -101.02 117.88 35.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.74 HD12 HG12 ' A' ' 101' ' ' ILE . 3.7 mm -103.75 127.51 57.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 100' ' ' GLN . 62.3 mt -112.67 102.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.143 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.583 HD13 ' HG2' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -101.0 179.34 4.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.21 -173.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 51.48 20.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER 41.5 69.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.352 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -132.85 133.29 43.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.9 OUTLIER -105.38 144.23 32.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.984 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.463 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.2 t -129.79 174.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.747 HG21 ' O ' ' A' ' 53' ' ' VAL . 2.9 mt -135.69 78.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.718 ' CD2' HD22 ' A' ' 50' ' ' LEU . 15.3 m-30 -77.0 155.0 32.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.928 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 18.4 m -137.3 114.21 10.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.205 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.7 148.97 32.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.4 pttt -115.08 -8.05 12.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.477 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 1.2 t -106.13 111.64 24.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.42 -36.74 3.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -69.66 -41.77 75.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.704 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 88.6 mt-10 -62.6 -40.12 95.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 110.236 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.527 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -60.56 -35.34 75.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.527 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 1.1 t30 -84.41 -39.25 19.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.7 OUTLIER -75.91 -22.06 56.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.205 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 38.3 m0 -74.05 -48.36 30.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -76.75 -50.81 12.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -49.61 -44.57 47.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.69 99.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -67.22 -44.87 78.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.455 HG12 ' CG2' ' A' ' 101' ' ' ILE . 15.4 mm -69.52 -17.66 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -44.74 74.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.982 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.874 HD11 HD13 ' A' ' 63' ' ' LEU . 11.6 mt -69.32 -63.73 1.01 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.868 ' HB2' HG22 ' A' ' 99' ' ' VAL . 2.6 tt0 -42.35 -26.12 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.828 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.4 OUTLIER -73.66 -37.59 65.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -80.8 50.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.09 29.66 2.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -177.01 -37.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.437 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.1 pp -83.03 -158.04 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.693 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.246 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.556 ' O ' ' N ' ' A' ' 26' ' ' GLN . 3.0 ttm . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.473 0.178 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -64.59 -49.04 72.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -77.48 -0.58 26.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.758 ' O ' HG23 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -111.09 -29.41 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 22' ' ' MET . 2.2 mm-40 -63.31 -64.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.01 52.36 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.624 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 2.8 m-20 -157.82 -39.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.093 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.7 pp -51.2 -167.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.424 ' HB2' ' HA ' ' A' ' 89' ' ' ARG . 1.0 OUTLIER -152.48 -64.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.864 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -112.45 36.1 4.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.461 1.1 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.751 ' C ' ' O ' ' A' ' 31' ' ' GLY . 52.5 t-105 -4.65 -77.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' GLY . 12.7 tp10 69.82 162.16 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.369 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' N ' ' HG3' ' A' ' 33' ' ' GLU . . . 107.76 -2.08 34.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 43.93 26.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.318 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER 162.33 -168.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.917 HD12 ' O ' ' A' ' 41' ' ' CYS . 1.0 OUTLIER -75.01 65.02 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.33 14.57 79.21 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.617 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 37.7 mt-30 66.83 49.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.617 ' CB ' ' O ' ' A' ' 39' ' ' GLN . 5.2 t 98.13 24.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 108.338 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.917 ' O ' HD12 ' A' ' 37' ' ' ILE . 4.1 m -131.48 -145.1 0.26 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.506 1.129 . . . . 0.0 108.294 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 1.0 OUTLIER 70.52 31.04 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -64.11 -7.57 9.29 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER 59.05 88.17 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.748 HG22 ' HG3' ' A' ' 46' ' ' MET . 8.2 mm -69.64 -74.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.748 ' HG3' HG22 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -137.64 131.23 31.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 62' ' ' PHE . 12.7 pt-20 -110.5 120.39 42.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -158.11 160.27 30.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.544 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -113.27 118.47 34.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.414 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.931 HD13 HG13 ' A' ' 61' ' ' ILE . 4.6 mp -114.17 143.65 44.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.542 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.9 OUTLIER -98.07 141.16 31.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.9 ttt-85 -93.5 99.02 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.879 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.4 t -84.6 76.91 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.702 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -161.64 24.0 0.23 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.586 1.179 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.702 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.2 -22.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.645 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 18.2 ttmt 99.35 78.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 23.0 m80 -150.25 148.74 29.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 109.558 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.523 ' O ' ' O ' ' A' ' 73' ' ' SER . 1.2 pt-20 -129.3 158.14 39.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 ptp85 -163.68 136.03 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.544 ' CG ' ' HB ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -79.06 93.9 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.931 HG13 HD13 ' A' ' 50' ' ' LEU . 15.8 mm -59.73 157.21 2.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.629 ' CG ' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -170.45 83.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.088 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -73.23 132.33 43.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.74 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 10.2 m-30 -102.86 158.66 16.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.054 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.468 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 12.1 t0 -63.03 -13.32 34.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.06 -38.03 3.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.803 ' C ' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -176.14 141.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.852 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 1.2 tmt? -66.71 133.03 49.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.061 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.74 HD12 ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -140.71 153.28 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.234 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.772 ' CB ' HD13 ' A' ' 61' ' ' ILE . 3.5 p -138.84 166.06 25.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.521 ' SG ' ' CB ' ' A' ' 60' ' ' HIS . 7.9 p -120.61 108.66 14.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 108.285 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -61.41 123.71 18.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.62 ' OG ' ' CE1' ' A' ' 88' ' ' TYR . 12.9 t -126.04 129.94 50.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.542 1.151 . . . . 0.0 109.994 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.448 HD22 ' CD2' ' A' ' 57' ' ' HIS . 12.4 t-20 -120.83 -66.53 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.78 -154.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.558 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.42 86.62 0.55 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.501 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -39.54 -51.87 4.82 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.436 0.727 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.56 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -75.1 172.38 16.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.421 1.748 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.56 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 1.4 ppt_? 152.24 -15.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.614 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 30.0 mt -51.88 -46.27 92.36 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.99 0.74 8.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.497 1.788 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 81' ' ' PRO . . . 37.82 93.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.37 -12.24 28.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.548 ' O ' ' C ' ' A' ' 85' ' ' ASN . 0.4 OUTLIER 175.6 33.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.984 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.572 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.0 OUTLIER 27.86 74.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.093 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 171.87 51.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 86' ' ' ALA . 21.0 mt-10 -33.21 -44.83 0.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.572 1.17 . . . . 0.0 110.348 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.624 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 13.8 m-30 -89.64 -161.76 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.968 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.461 ' HG3' ' CB ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -148.91 123.23 9.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.974 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.76 155.3 16.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.83 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.4 OUTLIER -138.82 147.04 42.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.73 137.77 36.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.1 mttp -150.92 88.57 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -59.25 82.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.893 ' CE1' HD22 ' A' ' 118' ' ' LEU . 6.3 m-30 -96.8 -45.47 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.485 ' N ' HD13 ' A' ' 144' ' ' LEU . 12.3 tmm? -41.07 -23.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.574 1.171 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -84.26 -50.86 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.248 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -175.37 148.4 0.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.831 HG22 ' HB3' ' A' ' 145' ' ' GLN . 19.6 m -150.21 -177.22 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.264 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 117' ' ' ILE . 2.2 tm0? -167.95 98.93 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.347 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 1.085 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -93.46 137.02 23.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.489 ' O ' ' N ' ' A' ' 104' ' ' LYS . 28.7 t30 -127.15 78.56 1.82 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.634 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 1.1 p-10 -59.5 82.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -90.32 77.07 6.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -170.51 156.52 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.74 25.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.392 1.058 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.528 ' C ' ' N ' ' A' ' 109' ' ' GLU . 68.0 p 40.33 -143.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 109' ' ' GLU . 5.1 m-20 42.63 21.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.528 ' N ' ' C ' ' A' ' 107' ' ' THR . 1.5 tt0 179.34 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -111.97 -177.55 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.79 -86.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.51 78.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.598 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 126' ' ' PHE . . . -156.71 155.32 31.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.684 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -145.55 162.08 38.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.999 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.472 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -91.43 131.75 36.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.254 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 1.085 HD12 HD12 ' A' ' 101' ' ' ILE . 2.8 mm -115.14 166.19 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 100' ' ' GLN . 22.3 mt -154.46 137.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.893 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -126.5 138.76 53.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.452 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -41.55 -28.9 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 4.3 t0 -48.58 -20.23 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 8.4 tt0 88.44 44.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -147.24 157.03 43.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.43 167.34 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.943 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.524 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.5 t -147.08 175.85 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.768 HG21 ' O ' ' A' ' 53' ' ' VAL . 23.3 mt -137.59 77.91 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.727 ' CD2' HD22 ' A' ' 50' ' ' LEU . 5.8 m-30 -68.52 165.97 17.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.549 ' OG ' ' CG2' ' A' ' 53' ' ' VAL . 32.5 m -147.4 102.11 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.054 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.1 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -103.95 153.74 20.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -117.26 -9.99 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.499 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -108.71 118.94 38.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.028 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -49.85 -33.42 16.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.06 -36.22 69.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.723 ' O ' ' N ' ' A' ' 137' ' ' TRP . 4.8 mm-40 -66.11 -44.19 85.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.225 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -57.42 -44.37 84.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.1 m-20 -72.87 -41.71 64.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -76.98 -15.65 59.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.1 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 34.3 m0 -82.03 -43.66 17.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 108.011 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.3 OUTLIER -83.56 -36.88 23.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.954 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.78 -46.05 89.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.522 ' HB2' ' SD ' ' A' ' 46' ' ' MET . . . -56.69 -46.46 81.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.75 HD11 ' HE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -62.35 -49.36 75.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 1.182 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.442 HG12 ' CG2' ' A' ' 101' ' ' ILE . 6.1 mm -67.0 -14.98 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.74 -40.84 72.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 110.026 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.088 HD11 ' CD1' ' A' ' 63' ' ' LEU . 22.2 mt -71.08 -64.92 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.831 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -46.42 -23.08 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.688 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.3 OUTLIER -70.48 -30.72 67.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.1 mtm180 -89.12 39.45 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.43 25.2 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -169.22 -40.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.8 pp -83.31 -2.7 56.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.8 ttm . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.453 0.168 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.425 ' ND2' ' H ' ' A' ' 24' ' ' GLU . 1.5 p-10 -75.51 -56.66 4.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 14.4 pt-20 -61.86 -14.97 38.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.675 HD11 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -91.54 -38.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.19 -36.62 31.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -95.85 25.98 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.471 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -147.93 16.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.719 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.1 pp -108.77 -141.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.491 ' H ' ' HB ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -161.98 -77.63 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -102.29 15.51 56.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.586 ' CD1' ' HG2' ' A' ' 33' ' ' GLU . 49.2 t-105 28.55 -99.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.586 ' HG2' ' CD1' ' A' ' 32' ' ' TRP . 8.8 pt-20 175.32 -165.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.17 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' LYS . . . -41.12 164.62 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLY . 6.9 mmtm -37.89 -62.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.793 . . . . 0.0 109.358 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' C ' HG12 ' A' ' 37' ' ' ILE . 26.2 p30 -135.74 151.21 49.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.425 HG22 ' HB2' ' A' ' 42' ' ' ASN . 35.0 mm -148.79 -44.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.07 -17.23 2.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.077 . . . . 0.0 111.026 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 40' ' ' CYS . 2.4 pt20 -80.9 -29.25 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.327 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 0.4 OUTLIER -98.36 -30.92 12.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.283 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER 168.11 -173.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 108.274 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 67' ' ' LEU . 1.5 t30 76.43 35.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.587 1.179 . . . . 0.0 109.38 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' O ' ' CB ' ' A' ' 44' ' ' PHE . 20.3 tt0 -63.85 -72.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.446 ' CB ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER 165.91 121.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.499 HG12 ' N ' ' A' ' 65' ' ' ASP . 1.5 mm -90.17 -67.07 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.489 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 0.0 OUTLIER -144.66 141.87 29.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -110.34 138.1 47.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.71 164.35 37.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.578 1.174 . . . . 0.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.552 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -114.96 115.33 26.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 110.407 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.845 HD13 ' CG1' ' A' ' 61' ' ' ILE . 5.0 mp -113.32 140.22 48.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -101.37 144.94 29.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.467 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.524 ' CG ' ' HB2' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -94.5 108.08 20.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.836 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -87.78 71.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.588 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -155.22 20.64 0.56 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.621 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . 170.39 -24.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.621 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 9.7 tttm 98.81 74.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.524 ' HB2' ' CG ' ' A' ' 52' ' ' ARG . 51.9 m80 -149.38 158.53 44.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.573 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' A' ' 73' ' ' SER . 4.8 pt-20 -125.76 164.12 21.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' A' ' 71' ' ' CYS . 1.2 ptp180 -164.43 141.61 6.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.113 . . . . 0.0 110.241 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.559 ' HE2' ' HE2' ' A' ' 62' ' ' PHE . 80.9 t60 -87.94 96.3 10.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.845 ' CG1' HD13 ' A' ' 50' ' ' LEU . 26.5 mm -66.74 156.72 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.675 ' CD2' HD11 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -166.89 91.45 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.821 HD11 ' CD1' ' A' ' 144' ' ' LEU . 4.4 tp -80.49 130.1 34.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.701 ' CE2' HG21 ' A' ' 69' ' ' ILE . 11.2 m-30 -105.0 155.12 19.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.499 ' N ' HG12 ' A' ' 45' ' ' ILE . 3.5 m-20 -69.47 1.83 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -114.93 -34.79 1.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.885 HD22 ' CE1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -176.9 139.24 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 0.719 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.539 ' HB3' ' O ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -71.78 140.65 49.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.806 HG13 HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -144.23 154.97 15.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 91' ' ' LYS . 26.7 p -144.17 141.09 29.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 108.287 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.476 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -104.7 127.15 52.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 59' ' ' ARG . 13.6 tttt -78.03 116.82 18.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.559 ' HA ' ' CD1' ' A' ' 88' ' ' TYR . 34.0 m -116.57 108.04 15.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -123.39 69.84 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.522 ' C ' ' CD2' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -172.7 -178.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.644 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.39 -72.45 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.44 1.087 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.47 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -70.88 -53.53 8.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.488 0.758 . . . . 0.0 110.339 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.4 Cg_endo -74.9 165.41 31.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.488 1.783 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.613 HH21 HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER 156.85 -16.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.326 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.613 HD23 HH21 ' A' ' 79' ' ' ARG . 25.2 mt -52.42 -45.66 95.14 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.05 1.86 7.29 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.487 1.783 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -85.77 -101.04 0.72 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.475 1.109 . . . . 0.0 110.941 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 61.39 85.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.581 ' O ' ' C ' ' A' ' 85' ' ' ASN . 0.3 OUTLIER -176.86 90.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.775 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 58.7 m-80 -25.78 121.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 85' ' ' ASN . . . 93.76 44.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 86' ' ' ALA . 8.4 mt-10 -38.61 -44.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.35 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CD1' ' HA ' ' A' ' 73' ' ' SER . 12.6 m-85 -83.38 -168.36 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 1.9 ttp85 -135.46 116.33 14.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -68.64 142.43 55.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.619 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -119.49 155.81 31.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.398 1.061 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.446 ' HG2' ' CE2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -97.16 120.05 36.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.383 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.632 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -125.61 74.15 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.885 ' CE1' HD22 ' A' ' 67' ' ' LEU . 45.2 m-85 -69.42 72.9 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.057 ' CD2' HD22 ' A' ' 118' ' ' LEU . 3.2 m-85 -135.48 -2.18 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.472 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -54.53 -17.26 3.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 111.028 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.4 tpt85 -89.33 -13.72 37.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -176.18 130.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.685 HG22 ' HB3' ' A' ' 145' ' ' GLN . 3.2 m -146.35 -178.86 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.402 ' O ' ' HB ' ' A' ' 117' ' ' ILE . 6.7 mt-30 -162.08 91.46 0.8 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.416 1.073 . . . . 0.0 110.329 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.908 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -83.93 137.49 20.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 104' ' ' LYS . 17.6 t-20 -128.96 81.48 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.607 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 8.8 p-10 -65.18 78.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -96.37 82.08 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.434 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 10.8 t0 -144.18 172.17 13.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.783 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.3 OUTLIER -149.61 19.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.667 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.6 OUTLIER 12.51 -74.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.783 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.0 m-20 -32.36 -31.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.634 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.2 tt0 -112.57 -29.86 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.582 ' O ' ' O ' ' A' ' 107' ' ' THR . 15.3 m-30 -109.35 -166.9 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 107' ' ' THR . 2.5 tptt -80.71 -93.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.532 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 1.1 t-80 -175.17 75.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.612 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.969 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -159.71 159.55 33.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.381 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.607 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -142.87 168.23 20.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.34 126.47 45.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.908 HD12 HD12 ' A' ' 101' ' ' ILE . 2.4 mm -102.5 166.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 36.2 mt -155.3 109.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.057 HD22 ' CD2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -85.95 146.85 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 98' ' ' LYS . 0.6 OUTLIER -47.1 -30.85 3.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.667 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 4.1 t0 -54.25 -15.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.567 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 12.4 tt0 91.16 22.05 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.867 ' HB3' HD12 ' A' ' 118' ' ' LEU . 5.2 t30 -104.3 -178.93 3.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 1.0 OUTLIER -146.69 161.9 39.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 110.037 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.46 HG12 ' H ' ' A' ' 125' ' ' ILE . 0.8 OUTLIER -147.47 175.67 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.571 HG22 ' HB ' ' A' ' 53' ' ' VAL . 3.1 mt -135.91 80.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.617 ' CD2' HG13 ' A' ' 116' ' ' ILE . 3.1 m-85 -76.53 159.74 30.08 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.969 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -143.2 112.42 6.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.407 1.067 . . . . 0.0 110.06 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.65 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.71 175.27 5.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -128.93 -24.87 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.508 ' CB ' ' HG2' ' A' ' 133' ' ' GLU . 0.3 OUTLIER -108.22 125.95 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.95 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 134' ' ' LYS . . . -49.88 -23.39 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -76.84 -42.57 39.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.706 ' O ' ' N ' ' A' ' 137' ' ' TRP . 20.2 mm-40 -57.87 -53.87 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -53.29 -44.62 68.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 2.9 t-20 -67.07 -42.47 84.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.5 t30 -77.36 -17.9 57.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.785 ' CE3' ' CD2' ' A' ' 50' ' ' LEU . 39.7 m0 -78.83 -41.16 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.548 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -87.58 -36.2 17.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -63.62 -46.56 85.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.489 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -57.08 -45.28 83.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.404 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.09 -41.28 74.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.574 HG23 ' CE1' ' A' ' 146' ' ' TYR . 6.4 mm -68.05 -21.06 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.082 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 139' ' ' ALA . 29.1 t -70.62 -41.62 72.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.821 ' CD1' HD11 ' A' ' 63' ' ' LEU . 16.7 mt -73.1 -63.69 1.13 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.685 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -47.23 -21.98 0.34 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.574 ' CE1' HG23 ' A' ' 142' ' ' ILE . 0.5 OUTLIER -70.53 -29.66 66.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 ttt-85 -83.99 7.29 18.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.371 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.43 ' CB ' ' HG2' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -100.87 31.23 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.938 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -175.92 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.682 HD12 ' N ' ' A' ' 151' ' ' GLU . 0.8 OUTLIER -106.32 -160.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.682 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.687 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.543 0.211 . . . . 0.0 111.061 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.487 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 8.5 p-10 -58.91 -45.53 90.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 4.6 pt-20 -81.39 3.3 24.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.611 HD11 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -118.51 -26.26 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.687 ' N ' ' O ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -68.39 -6.1 22.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.346 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.641 ' CE ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -106.82 28.57 7.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.515 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m-20 -166.02 27.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.974 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.5 pp -111.36 -156.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.463 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER -155.33 -76.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.702 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.48 38.45 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.561 1.163 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.702 ' C ' ' O ' ' A' ' 31' ' ' GLY . 76.2 t-105 -14.45 -65.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' GLY . 2.5 mm-40 67.7 -173.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.125 . . . . 0.0 110.344 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.78 99.21 0.06 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.631 ' CE ' HD21 ' A' ' 67' ' ' LEU . 14.2 mmtm -137.69 -46.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.2 m-20 78.03 173.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 37' ' ' ILE . 3.7 mp -92.58 62.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.418 ' HA2' ' N ' ' A' ' 42' ' ' ASN . . . 48.41 22.58 2.57 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -91.5 -31.82 15.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 0.765 . . . . 0.0 110.248 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -98.6 -33.51 10.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 108.27 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.8 OUTLIER 159.57 84.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 108.302 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.418 ' N ' ' HA2' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -171.63 32.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.0 OUTLIER -67.74 110.05 3.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.58 ' CE1' ' CE1' ' A' ' 64' ' ' PHE . 3.3 m-85 -42.32 92.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.749 ' CD1' HD21 ' A' ' 144' ' ' LEU . 4.2 mt -62.46 -52.0 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.263 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.649 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -148.95 132.57 16.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.633 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -113.89 130.83 56.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -171.24 171.03 43.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.691 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -119.27 118.44 31.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.449 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 HG13 ' A' ' 61' ' ' ILE . 5.2 mp -111.29 136.52 50.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -95.08 134.59 37.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.49 1.119 . . . . 0.0 110.451 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.1 OUTLIER -87.96 100.8 13.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.892 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.5 t -81.52 72.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -150.18 6.0 0.68 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.78 35.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.463 ' O ' ' ND1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER 48.36 80.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.543 ' CD2' ' HB2' ' A' ' 74' ' ' ASN . 5.7 m80 -148.86 142.63 25.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.561 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' C ' ' CG ' ' A' ' 59' ' ' ARG . 31.9 tt0 -122.95 159.48 28.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.356 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.468 ' CG ' ' C ' ' A' ' 58' ' ' GLU . 10.6 mtt180 -158.47 140.55 13.98 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.466 1.104 . . . . 0.0 110.27 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.691 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.5 OUTLIER -83.96 97.05 9.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.572 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.899 HG13 HD13 ' A' ' 50' ' ' LEU . 43.9 mm -71.72 147.49 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.633 ' CE1' ' CB ' ' A' ' 47' ' ' GLU . 2.7 m-85 -162.7 82.66 0.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.884 ' HA ' ' HA ' ' A' ' 68' ' ' MET . 0.1 OUTLIER -71.4 135.23 47.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.798 ' N ' HD12 ' A' ' 63' ' ' LEU . 16.2 m-85 -108.84 157.98 18.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.476 ' CA ' HG13 ' A' ' 45' ' ' ILE . 9.1 t70 -60.3 -16.41 34.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.31 -37.37 4.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.492 1.12 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.723 HD12 ' O ' ' A' ' 68' ' ' MET . 0.8 OUTLIER -176.2 147.41 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.884 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 1.2 tmt? -71.1 139.48 50.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.769 ' CG1' HD23 ' A' ' 90' ' ' LEU . 1.2 tp -118.36 164.34 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.517 ' SG ' ' CD1' ' A' ' 61' ' ' ILE . 5.6 t -164.08 113.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 22.6 p -101.7 112.17 24.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 108.293 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -60.74 133.88 56.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.542 ' HB2' ' CG ' ' A' ' 88' ' ' TYR . 2.8 t -130.25 104.94 7.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.543 ' HB2' ' CD2' ' A' ' 57' ' ' HIS . 19.8 t-20 -133.4 -70.23 0.53 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.68 156.53 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.589 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -175.62 82.82 0.07 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.555 1.16 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.626 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 35.7 tt0 -71.89 -43.42 10.9 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.534 0.785 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -75.01 -166.11 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.525 1.802 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 65.82 19.57 11.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 13.1 mt -57.68 -44.32 99.39 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.1 Cg_endo -75.06 -1.13 10.84 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.495 1.787 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -139.75 71.41 0.44 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.969 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.79 128.58 0.4 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.546 0.792 . . . . 0.0 109.236 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.47 59.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 59.47 94.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.974 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -177.86 49.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.363 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 86' ' ' ALA . 33.6 mt-10 -26.96 -50.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.542 ' CG ' ' HB2' ' A' ' 73' ' ' SER . 2.8 m-30 -95.22 144.01 26.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 2.0 ttt85 -96.88 112.58 24.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.074 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.27 140.57 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.74 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -127.42 136.36 51.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 93' ' ' LYS . 20.6 tt0 -72.13 142.4 49.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.602 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -152.47 81.3 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CE2' ' OE2' ' A' ' 92' ' ' GLU . 1.4 m-85 -58.26 89.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.706 ' CE2' HD11 ' A' ' 141' ' ' LEU . 5.7 m-30 -100.72 -48.6 4.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.707 ' N ' HD13 ' A' ' 144' ' ' LEU . 1.3 tmt? -40.04 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 111.038 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' PHE . 1.7 tpt180 -80.02 -51.1 9.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.115 . . . . 0.0 110.247 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' C ' HG13 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -176.21 148.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 145' ' ' GLN . 13.2 m -154.61 -178.36 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.3 OUTLIER -167.9 99.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.555 HD13 ' HA ' ' A' ' 138' ' ' MET . 0.1 OUTLIER -88.83 141.34 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.486 ' N ' HG13 ' A' ' 101' ' ' ILE . 3.8 t-20 -133.42 79.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.589 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 4.3 p-10 -65.04 79.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 102' ' ' ASN . 1.1 mtmt -98.33 79.32 2.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.585 ' OD2' HG23 ' A' ' 107' ' ' THR . 9.9 t0 -135.77 166.43 23.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.73 ' O ' ' N ' ' A' ' 108' ' ' ASN . 27.3 m-20 -134.84 8.4 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.606 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.7 OUTLIER 19.42 -79.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.524 1.14 . . . . 0.0 110.452 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.73 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.3 t30 -33.17 -32.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.597 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.9 tt0 -112.71 -27.43 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.346 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CZ ' ' OD2' ' A' ' 106' ' ' ASP . 13.4 m-30 -105.81 -167.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.512 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -84.73 -90.19 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.512 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.0 OUTLIER -175.83 78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.584 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -162.72 163.06 27.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.38 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.654 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -153.0 165.92 34.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.978 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.3 OUTLIER -93.81 133.7 36.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.579 HD11 ' HB2' ' A' ' 126' ' ' PHE . 4.9 mp -123.88 136.47 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 100' ' ' GLN . 55.4 mt -116.85 127.34 74.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -111.95 139.59 47.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.445 ' C ' ' N ' ' A' ' 121' ' ' GLU . 24.8 tptt -41.63 -32.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 2.6 m-20 -46.03 -21.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.518 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 0.6 OUTLIER 88.25 39.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.248 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.9 157.68 44.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 2.4 p -114.72 160.46 19.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.525 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.4 t -139.74 176.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.54 HG21 ' O ' ' A' ' 53' ' ' VAL . 4.3 mp -139.34 78.52 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.61 ' CD2' HD22 ' A' ' 50' ' ' LEU . 3.5 m-85 -74.31 165.62 24.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.666 ' OG ' HG23 ' A' ' 53' ' ' VAL . 39.3 m -144.35 104.11 4.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.025 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -102.42 147.21 27.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.162 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -111.96 -9.47 14.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.5 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -109.51 116.35 31.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.122 . . . . 0.0 110.052 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.23 -32.93 4.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -72.71 -41.95 64.71 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.72 ' O ' ' N ' ' A' ' 137' ' ' TRP . 7.0 mm-40 -59.7 -44.98 93.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.5 OUTLIER -57.44 -44.29 84.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.544 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 0.2 OUTLIER -71.63 -41.31 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.247 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.6 OUTLIER -77.42 -16.99 58.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.025 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 36.2 m0 -79.72 -40.25 29.34 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -89.29 -34.35 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -63.1 -47.95 80.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.36 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.478 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -56.99 -44.28 82.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.706 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -64.21 -49.1 73.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.622 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 19.2 mm -67.64 -15.51 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 139' ' ' ALA . 3.9 t -70.67 -43.45 69.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.162 . . . . 0.0 110.003 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.749 HD21 ' CD1' ' A' ' 45' ' ' ILE . 67.8 mt -72.02 -63.73 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.392 1.057 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.774 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -46.01 -23.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.622 ' CE1' ' CG2' ' A' ' 142' ' ' ILE . 0.7 OUTLIER -71.92 -28.77 63.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.929 -179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 144' ' ' LEU . 3.1 mtt180 -82.62 8.75 11.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.34 44.6 1.04 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 110.006 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 174.27 -34.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp -106.04 -2.33 22.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.272 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.424 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.53 0.205 . . . . 0.0 111.023 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -81.01 -52.12 7.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.54 -18.94 64.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.441 1.088 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.64 HG13 ' CE2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -88.5 -38.21 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 22' ' ' MET . 3.2 mm100 -57.84 -17.03 13.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 110.242 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.456 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -94.93 21.67 7.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.448 ' O ' ' OD1' ' A' ' 28' ' ' ASN . 58.6 t-20 -146.37 18.52 1.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.804 HG22 ' HB2' ' A' ' 90' ' ' LEU . 1.7 pp -115.41 164.58 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.483 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.3 OUTLIER -106.22 -79.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -102.21 5.02 52.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.658 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 31.3 t-105 31.64 40.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.683 ' OE1' HD11 ' A' ' 90' ' ' LEU . 1.1 pt-20 -44.69 167.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.21 -132.28 6.46 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.413 1.071 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -120.21 -42.69 2.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -168.48 -160.33 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.595 HG22 ' N ' ' A' ' 38' ' ' GLY . 3.0 mp -77.1 -114.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.595 ' N ' HG22 ' A' ' 37' ' ' ILE . . . -130.06 23.8 4.6 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.528 1.143 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -32.4 15.78 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.491 0.76 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 31.6 p -96.13 -38.89 9.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 108.306 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.553 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 3.6 p 155.94 107.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.415 1.072 . . . . 0.0 108.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 3.4 m-20 155.96 35.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -66.92 -101.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 27.1 p90 -172.23 88.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.88 HD12 HD21 ' A' ' 144' ' ' LEU . 1.7 mt -52.07 -55.59 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.077 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.971 ' SD ' HD23 ' A' ' 63' ' ' LEU . 14.8 ptm -123.76 130.03 51.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.78 114.18 26.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.94 160.57 33.09 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.13 124.82 51.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 110.44 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.888 HD13 ' CG1' ' A' ' 61' ' ' ILE . 4.5 mp -113.07 143.69 43.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.9 OUTLIER -95.92 142.66 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.426 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -94.43 102.37 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.879 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.6 t -88.01 75.52 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.696 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -161.51 24.97 0.24 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.429 1.081 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 163.34 -24.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.635 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 99.15 81.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.586 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 94.2 m-70 -162.51 149.75 13.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.574 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 73' ' ' SER . 2.0 mp0 -113.81 169.15 9.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.598 ' HG3' HD11 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -163.09 126.91 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.447 ' HB2' ' ND2' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -73.57 104.71 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.59 1.181 . . . . 0.0 109.595 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.888 ' CG1' HD13 ' A' ' 50' ' ' LEU . 18.9 mm -77.58 134.23 28.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.64 ' CE2' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -149.2 82.36 1.43 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.135 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -71.55 130.83 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.374 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.812 ' CE2' HG21 ' A' ' 69' ' ' ILE . 10.4 m-30 -107.71 152.4 24.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.3 t0 -61.02 -12.77 12.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' C ' ' SD ' ' A' ' 96' ' ' MET . . . -97.05 -34.11 5.78 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.675 HD12 ' N ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -174.51 158.42 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.675 ' N ' HD12 ' A' ' 67' ' ' LEU . 17.8 mtp -85.07 119.7 25.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.984 HD12 ' N ' ' A' ' 70' ' ' CYS . 0.2 OUTLIER -110.8 146.07 16.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.984 ' N ' HD12 ' A' ' 69' ' ' ILE . 15.6 m -142.5 92.76 2.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.113 . . . . 0.0 108.347 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.0 p -79.92 130.21 35.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 108.291 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 88' ' ' TYR . 31.3 tttt -82.77 164.61 20.51 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.658 ' HA ' ' CG ' ' A' ' 88' ' ' TYR . 16.1 p -177.81 140.25 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -137.87 -49.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -76.86 -83.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.533 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.07 8.78 11.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.538 1.148 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' N ' ' HD3' ' A' ' 78' ' ' PRO . 1.1 tt0 -152.44 63.29 4.94 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.3 Cg_endo -75.01 175.7 10.9 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.029 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 157.05 -15.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 110.269 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -63.48 -52.04 62.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.0 1.56 7.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.544 1.813 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 126.08 117.52 2.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.22 96.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 0.774 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 85' ' ' ASN . 91.0 p -131.31 6.26 4.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.468 ' C ' ' O ' ' A' ' 84' ' ' SER . 0.8 OUTLIER 35.14 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.231 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.095 ' O ' ' N ' ' A' ' 88' ' ' TYR . . . -154.72 39.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' OE1' ' ND2' ' A' ' 28' ' ' ASN . 19.4 mt-10 37.12 -59.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 1.095 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -147.39 -73.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 175.43 152.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.979 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -85.01 133.93 34.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.596 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -116.53 91.75 3.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.589 ' CD ' HD21 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -57.84 135.43 56.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.628 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 24.7 mttt -135.99 76.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.612 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 37.9 p90 -69.74 76.7 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.097 ' CE2' HD13 ' A' ' 118' ' ' LEU . 10.8 m-85 -129.98 -4.69 4.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.935 ' HB2' HD13 ' A' ' 144' ' ' LEU . 2.5 ptt? -47.23 -34.47 6.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.506 ' N ' ' HG3' ' A' ' 96' ' ' MET . 0.0 OUTLIER -64.22 -16.57 62.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -174.97 116.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.834 HG22 ' HB3' ' A' ' 145' ' ' GLN . 8.4 m -137.89 -178.07 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -168.96 115.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 -179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.758 HD12 HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -100.5 135.85 34.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.6 m120 -126.56 80.39 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.184 . . . . 0.0 109.281 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.587 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 16.9 p-10 -61.68 80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' ASN . 9.1 tttp -98.99 79.76 2.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.408 ' OD2' HG23 ' A' ' 107' ' ' THR . 13.6 t0 -137.0 170.72 15.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.772 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -144.25 15.27 1.67 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.4 OUTLIER 13.64 -75.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 110.423 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.772 ' N ' ' O ' ' A' ' 106' ' ' ASP . 13.2 t30 -31.47 -32.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.238 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.645 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.0 OUTLIER -113.47 -31.2 6.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.585 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.0 m-30 -104.52 -170.02 1.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -84.26 -89.03 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.519 ' O ' ' CG ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -173.78 78.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.605 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.8 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -157.78 160.34 37.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.587 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -148.41 166.36 28.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 124' ' ' VAL . 15.7 pt-20 -94.94 130.01 41.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.27 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.758 HD12 HD12 ' A' ' 101' ' ' ILE . 2.7 mm -104.32 167.98 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 100' ' ' GLN . 58.5 mt -151.73 101.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.097 HD13 ' CE2' ' A' ' 95' ' ' PHE . 2.3 pp -109.03 163.16 13.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.464 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -46.59 176.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.6 t0 69.61 6.14 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 57.09 75.53 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.34 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.51 138.12 20.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -114.24 150.47 34.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.927 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.455 HG12 ' H ' ' A' ' 125' ' ' ILE . 0.9 OUTLIER -127.99 174.71 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.798 HG21 ' O ' ' A' ' 53' ' ' VAL . 3.2 mt -134.68 79.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.623 ' CD2' HG13 ' A' ' 116' ' ' ILE . 3.0 m-85 -76.48 158.71 31.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.8 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 18.1 m -139.47 104.48 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.071 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.144 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -105.31 141.51 36.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.588 1.18 . . . . 0.0 109.384 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 -8.43 16.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.414 1.071 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.8 m -106.27 113.7 27.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.949 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -46.57 -34.34 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.15 -43.34 67.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.741 ' O ' ' N ' ' A' ' 137' ' ' TRP . 21.0 mt-10 -60.45 -42.73 96.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.565 ' O ' ' HG2' ' A' ' 138' ' ' MET . 5.4 ttpt -56.71 -42.92 80.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 32.6 t30 -76.28 -40.55 51.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.2 m-20 -77.15 -15.84 59.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.144 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 34.1 m0 -80.82 -44.05 19.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -83.53 -37.58 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.501 ' CA ' ' HE2' ' A' ' 138' ' ' MET . . . -62.62 -46.48 88.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.46 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -59.03 -42.22 89.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -65.46 -47.72 75.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.496 HG22 ' CE2' ' A' ' 146' ' ' TYR . 24.8 mm -68.46 -17.24 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.0 t -69.21 -43.95 73.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.924 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.135 HD11 ' CD1' ' A' ' 63' ' ' LEU . 68.3 mt -69.13 -59.77 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.834 ' HB3' HG22 ' A' ' 99' ' ' VAL . 2.7 pp0? -46.98 -23.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.654 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -76.52 -34.84 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -81.94 47.8 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.455 1.097 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.12 27.12 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.981 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -171.07 -39.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.6 OUTLIER -89.45 -160.27 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.415 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 120.513 0.197 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -72.87 -55.63 6.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 109.224 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.13 -18.71 16.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.838 HD11 ' CE2' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -84.67 -32.63 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.47 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 33.9 mt-30 -64.12 -15.24 59.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.49 44.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.576 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 1.3 t-20 -168.87 -31.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.046 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.4 pp -58.54 -145.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.534 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 12.2 t70 -158.4 -52.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.71 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -133.68 29.32 3.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.416 1.073 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.71 ' C ' ' O ' ' A' ' 31' ' ' GLY . 9.9 t-105 -12.2 85.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.633 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 31.33 -154.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -128.72 113.81 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 36' ' ' ASP . 6.3 mmtt 42.75 90.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 109.414 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.413 ' O ' ' O ' ' A' ' 35' ' ' LYS . 1.3 m-20 47.39 -173.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 109.328 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.695 HD12 HD22 ' A' ' 42' ' ' ASN . 77.4 mt -126.08 -66.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.68 -19.97 28.02 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.036 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' A' ' 40' ' ' CYS . 23.5 mt-30 75.07 29.27 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 110.274 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER 174.83 -31.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 108.302 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 12.8 m -87.81 -102.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 108.321 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.695 HD22 HD12 ' A' ' 37' ' ' ILE . 23.5 t-20 50.09 22.61 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 45' ' ' ILE . 3.2 mm-40 -85.29 101.24 12.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 31.7 p90 -37.94 98.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 65' ' ' ASP . 32.8 mt -50.03 -59.59 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.522 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -138.23 129.98 28.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 110.996 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -107.62 129.76 54.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.09 163.37 37.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.741 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -116.29 117.92 31.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 110.382 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.955 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.4 OUTLIER -119.17 152.72 36.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.22 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.573 ' CG2' ' HB2' ' A' ' 127' ' ' SER . 0.6 OUTLIER -100.57 128.21 46.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.425 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 57' ' ' HIS . 13.2 ttt180 -80.26 90.59 5.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.405 1.066 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.82 HG12 HG21 ' A' ' 125' ' ' ILE . 1.2 t -64.37 176.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.688 ' N ' HG13 ' A' ' 53' ' ' VAL . . . 81.35 -5.61 67.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.511 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -147.17 -36.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 0.792 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.5 OUTLIER 88.7 68.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.423 ' CE1' HD22 ' A' ' 74' ' ' ASN . 53.9 m-70 -149.02 149.11 30.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.619 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -98.48 163.32 12.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.631 ' HD2' HD11 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -162.59 117.45 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.554 ' HA ' HG23 ' A' ' 49' ' ' THR . 0.2 OUTLIER -68.21 87.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.955 ' CG1' HD13 ' A' ' 50' ' ' LEU . 29.5 mm -57.48 145.49 8.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.838 ' CE2' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -164.54 80.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.79 HD21 ' CD1' ' A' ' 144' ' ' LEU . 5.7 tp -70.32 115.61 9.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 18.7 m-30 -92.36 145.4 24.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.604 ' HA ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -55.09 -14.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.657 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -94.02 -45.05 3.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.047 HD13 ' CD1' ' A' ' 94' ' ' PHE . 83.2 mt -161.0 146.41 14.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 0.773 . . . . 0.0 109.321 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.532 ' HA ' HD12 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -67.7 100.28 0.89 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 111.088 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.044 HD12 HD21 ' A' ' 90' ' ' LEU . 2.0 mm -93.96 147.69 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.578 ' CB ' HD13 ' A' ' 61' ' ' ILE . 1.6 p -149.49 106.39 3.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.543 ' O ' ' CA ' ' A' ' 59' ' ' ARG . 6.4 m -75.75 127.4 32.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 108.323 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.539 ' CG ' ' NH1' ' A' ' 59' ' ' ARG . 4.1 mtpm? -96.36 118.16 32.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.3 m -117.65 130.36 56.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 110.015 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.423 HD22 ' CE1' ' A' ' 57' ' ' HIS . 6.4 m120 -124.42 -41.09 2.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 176.54 134.13 0.05 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.562 1.164 . . . . 0.0 109.648 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -93.35 59.9 2.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.392 1.058 . . . . 0.0 111.011 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.474 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -80.08 -53.35 0.95 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.482 0.754 . . . . 0.0 110.35 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.1 Cg_endo -75.05 -172.69 1.33 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.467 ' NH1' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER 79.57 9.92 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.643 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 4.2 mt -55.49 -44.41 99.63 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.01 -1.21 10.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.442 ' HA2' ' CZ ' ' A' ' 79' ' ' ARG . . . 56.32 98.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.568 1.167 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . -163.63 123.76 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 83' ' ' ALA . 0.3 OUTLIER 87.52 -14.85 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.177 . . . . 0.0 110.016 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 84' ' ' SER . 71.7 m-80 32.6 88.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.046 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -173.2 50.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.537 ' C ' ' O ' ' A' ' 86' ' ' ALA . 13.9 mt-10 -27.66 -53.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.576 ' CG ' ' OD1' ' A' ' 28' ' ' ASN . 2.8 m-30 -88.25 -142.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.475 ' HA ' ' HB2' ' A' ' 30' ' ' ASP . 12.6 ttp180 -149.29 156.07 41.52 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.16 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.044 HD21 HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -112.99 138.72 49.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.678 ' N ' HD13 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -122.78 130.71 53.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -90.07 123.98 34.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 20.4 mttt -131.75 79.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 1.047 ' CD1' HD13 ' A' ' 67' ' ' LEU . 4.7 m-85 -62.67 79.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.774 ' CZ ' HD13 ' A' ' 118' ' ' LEU . 44.4 m-85 -144.02 7.94 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.522 ' HG2' HD13 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -61.7 -10.5 8.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.594 1.183 . . . . 0.0 111.015 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.13 -0.82 20.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.431 ' HB3' ' HD3' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -175.14 131.78 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.544 ' CG1' ' O ' ' A' ' 95' ' ' PHE . 3.1 m -152.53 -175.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.6 mt-30 -168.66 82.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 138' ' ' MET . 0.5 OUTLIER -76.68 144.69 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' LYS . 0.5 OUTLIER -133.85 84.05 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.634 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 51.5 p-10 -63.18 78.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -103.9 78.45 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 6.0 t70 -154.39 -159.3 0.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.752 ' C ' HG23 ' A' ' 107' ' ' THR . 0.1 OUTLIER 162.59 -24.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.393 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.752 HG23 ' C ' ' A' ' 106' ' ' ASP . 1.3 p 71.69 -6.56 1.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.442 ' H ' ' C ' ' A' ' 106' ' ' ASP . 7.4 m-20 -62.37 -6.52 3.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 107' ' ' THR . 4.2 tt0 -157.24 -20.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -108.86 -171.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -75.77 -88.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.474 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 1.6 t-80 -178.01 79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.98 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -167.27 148.35 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -115.48 174.49 5.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.688 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -100.59 118.8 37.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.72 HD13 ' N ' ' A' ' 116' ' ' ILE . 1.1 mm -95.47 157.93 3.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.467 ' O ' ' N ' ' A' ' 100' ' ' GLN . 40.2 mt -150.86 110.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.774 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -110.56 178.0 4.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.475 ' O ' ' O ' ' A' ' 118' ' ' LEU . 2.3 tptp -54.18 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 10.2 t70 45.73 23.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 42.38 83.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.546 ' HB2' HD12 ' A' ' 118' ' ' LEU . 15.6 m-20 -149.47 155.3 40.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -132.33 164.96 25.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.99 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.409 ' C ' HD12 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -149.77 179.27 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.82 HG21 HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -142.83 87.41 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.528 ' HB3' HD23 ' A' ' 50' ' ' LEU . 17.4 m-30 -87.26 135.4 33.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.98 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 62.4 m -109.02 117.32 33.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.151 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -118.6 144.29 46.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -115.28 0.84 13.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.493 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -113.43 111.99 22.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.113 . . . . 0.0 110.067 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.21 -38.06 5.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.378 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.61 -41.9 68.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.741 ' O ' ' N ' ' A' ' 137' ' ' TRP . 15.5 mm-40 -59.22 -48.82 80.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 138' ' ' MET . 1.2 ttpm? -54.45 -44.74 72.79 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.573 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 3.8 t-20 -70.53 -41.78 72.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.3 OUTLIER -76.93 -17.1 59.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.151 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 38.1 m0 -79.27 -39.48 32.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.034 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.601 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -91.24 -35.89 14.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -58.64 -49.46 77.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -57.49 -40.12 77.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.504 HD22 ' HB ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -69.11 -46.18 68.36 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.512 HG12 ' CG2' ' A' ' 101' ' ' ILE . 3.1 mm -67.08 -20.22 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -48.83 68.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.79 ' CD1' HD21 ' A' ' 63' ' ' LEU . 82.4 mt -71.45 -57.16 4.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.482 ' HB2' HG22 ' A' ' 99' ' ' VAL . 1.2 tm0? -43.34 -25.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.948 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.5 OUTLIER -78.21 -38.33 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.383 1.052 . . . . 0.0 111.001 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 144' ' ' LEU . 25.3 mtt-85 -78.94 49.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.64 25.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.72 -37.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.441 1.088 . . . . 0.0 110.406 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.948 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER -78.88 -158.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.66 ' N ' HD12 ' A' ' 150' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.418 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.542 0.21 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.506 ' O ' ' CE ' ' A' ' 27' ' ' LYS . 5.1 p30 -69.51 -35.23 75.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -87.28 -11.27 50.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 28' ' ' ASN . 0.0 OUTLIER -100.87 -33.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.476 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.1 mt-30 -47.71 -30.61 3.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -91.22 36.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.643 ' OD1' ' CE2' ' A' ' 88' ' ' TYR . 0.5 OUTLIER -167.57 24.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 1.117 . . . . 0.0 109.36 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.518 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.9 pp -119.48 -132.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -167.44 -82.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.588 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -101.37 10.96 58.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.584 ' C ' ' O ' ' A' ' 31' ' ' GLY . 63.5 t-105 28.09 -98.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' GLY . 11.0 mm-40 48.21 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.22 -130.15 9.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -74.27 -83.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.76 . . . . 0.0 109.285 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.533 ' OD1' HD13 ' A' ' 37' ' ' ILE . 1.1 t0 -165.45 -162.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.533 HD13 ' OD1' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -101.81 62.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.247 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 76.87 8.43 86.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -85.07 -32.84 22.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.749 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.516 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -108.23 -31.13 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.293 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 40' ' ' CYS . 0.9 OUTLIER 158.14 119.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 108.327 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.452 ' OD1' ' CD2' ' A' ' 64' ' ' PHE . 53.6 t30 -159.66 25.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -72.12 94.12 1.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.261 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' GLU . 28.1 m-85 -34.79 94.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.878 HD12 HD21 ' A' ' 144' ' ' LEU . 1.4 mt -59.1 -69.23 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.618 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.9 OUTLIER -126.69 143.01 51.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.56 ' HB3' ' CE2' ' A' ' 62' ' ' PHE . 4.6 mp0 -118.01 123.1 44.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -169.51 156.44 27.45 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.605 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -110.13 129.91 55.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 110.376 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.819 HD22 ' CD2' ' A' ' 126' ' ' PHE . 2.0 mp -126.29 156.75 39.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.515 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -112.63 138.1 49.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 7.9 ttp85 -89.31 94.16 9.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.828 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.6 t -81.26 78.37 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.692 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -171.11 29.11 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 162.32 -22.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.4 0.706 . . . . 0.0 109.362 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.649 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER 100.15 78.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 74' ' ' ASN . 67.6 m-70 -141.85 135.41 29.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.072 . . . . 0.0 109.58 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.409 ' CG ' ' OG1' ' A' ' 51' ' ' THR . 60.4 tt0 -143.04 139.92 30.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.764 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -175.69 -175.04 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.653 ' O ' HD13 ' A' ' 61' ' ' ILE . 1.6 t-80 -92.51 147.1 23.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.58 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.801 HD12 ' HB2' ' A' ' 70' ' ' CYS . 37.1 mm -123.2 119.04 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 47' ' ' GLU . 64.2 m-85 -124.66 110.11 13.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.954 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.041 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -92.2 129.03 38.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CE2' ' HB ' ' A' ' 69' ' ' ILE . 4.0 m-85 -97.93 156.51 16.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' CA ' HG13 ' A' ' 45' ' ' ILE . 1.5 t0 -65.22 -11.79 44.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' ' 41' ' ' CYS . . . -101.53 -32.61 5.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.415 HD21 HD11 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -176.75 139.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.705 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -78.64 115.32 18.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.892 HD12 ' CD2' ' A' ' 90' ' ' LEU . 17.4 mm -108.52 118.68 56.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.801 ' HB2' HD12 ' A' ' 61' ' ' ILE . 14.4 p -103.23 117.34 34.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 108.355 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.764 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 2.7 m -97.69 99.18 10.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 108.35 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.594 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 30.9 mttt -91.28 155.49 18.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.62 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 14.1 t -147.6 133.4 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.479 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 23.0 t-20 -125.76 167.82 14.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -43.0 123.76 2.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.548 1.155 . . . . 0.0 109.588 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 132.95 -145.35 17.36 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.151 . . . . 0.0 110.975 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.438 ' N ' ' HD3' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -172.84 62.88 0.29 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 110.256 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.532 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.4 Cg_endo -75.01 168.38 24.95 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.532 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 155.35 -18.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.579 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -50.34 -47.69 82.45 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.98 1.94 7.17 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.504 1.791 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -123.81 -119.55 2.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.118 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.97 -166.85 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 41.4 t -106.55 41.02 1.51 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.465 ' CB ' ' HG3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER 161.4 44.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.529 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . -115.08 62.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 86' ' ' ALA . 19.8 mt-10 -32.95 -58.88 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.656 ' CE2' ' NE ' ' A' ' 59' ' ' ARG . 1.6 m-30 -74.04 -168.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 111.063 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -143.85 117.99 9.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.252 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.049 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -69.98 152.09 44.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.732 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -136.6 116.26 12.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 11.4 pt-20 -59.45 116.17 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.62 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 6.6 mmtm -132.11 83.47 2.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -59.47 78.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.0 ' CE1' HD22 ' A' ' 118' ' ' LEU . 6.6 m-30 -92.06 -46.01 8.01 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.816 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -41.37 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -81.36 -51.09 8.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.5 ' HG3' ' CB ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -173.42 149.0 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.37 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.684 HG22 ' HB3' ' A' ' 145' ' ' GLN . 14.0 m -155.33 -176.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 117' ' ' ILE . 2.1 tt0 -167.64 85.49 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.628 HD12 HD12 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -74.58 141.4 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.459 ' N ' HG13 ' A' ' 101' ' ' ILE . 1.7 t30 -134.98 90.94 2.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.642 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 13.2 p-10 -67.37 79.32 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.5 tptt -99.05 79.61 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.49 ' OD2' HG23 ' A' ' 107' ' ' THR . 10.8 t0 -138.31 171.92 13.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.748 ' O ' ' N ' ' A' ' 108' ' ' ASN . 1.3 t70 -140.89 12.55 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.654 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.6 OUTLIER 13.34 -76.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.748 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.7 m120 -31.42 -32.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.6 tt0 -112.01 -31.14 7.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.573 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.1 m-30 -105.26 -166.89 1.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.489 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -82.44 -92.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.455 ' O ' ' ND1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -174.73 79.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.581 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.881 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -162.66 152.63 16.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.265 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.678 ' HD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -136.97 169.97 16.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.994 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.76 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -96.77 122.17 39.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.163 . . . . 0.0 110.331 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.76 HD13 ' C ' ' A' ' 115' ' ' GLU . 2.0 mm -104.28 148.14 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 100' ' ' GLN . 1.9 mp -132.36 134.99 58.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.0 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -123.11 134.96 54.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.5 ' CB ' ' HG3' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -45.71 -25.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.595 1.184 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.876 ' HB3' HD12 ' A' ' 118' ' ' LEU . 24.4 t0 -52.1 -16.52 0.8 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 5.4 mt-10 87.4 46.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -151.24 159.95 44.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.459 1.099 . . . . 0.0 109.228 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -124.21 163.05 22.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.95 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.51 ' C ' HD12 ' A' ' 125' ' ' ILE . 0.2 OUTLIER -142.62 176.73 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.773 HG21 ' O ' ' A' ' 53' ' ' VAL . 5.3 mp -140.19 80.81 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.819 ' CD2' HD22 ' A' ' 50' ' ' LEU . 11.6 m-30 -75.03 156.62 35.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.881 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 37.1 m -138.83 112.11 8.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.034 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.0 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -110.65 158.49 18.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -118.78 -8.67 10.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.507 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -112.79 114.92 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.952 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.16 -35.6 3.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -68.8 -39.97 79.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.685 ' HB3' ' NE1' ' A' ' 137' ' ' TRP . 4.2 mm-40 -61.28 -45.14 95.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 138' ' ' MET . 3.5 ttpt -57.9 -38.41 75.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.459 ' O ' ' HG3' ' A' ' 138' ' ' MET . 2.0 t-20 -78.58 -38.36 40.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.3 m-20 -77.91 -19.06 55.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.389 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.0 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 41.3 m0 -78.74 -46.33 19.18 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.537 1.148 . . . . 0.0 108.031 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -77.64 -39.75 44.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -59.71 -42.02 92.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.254 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.571 ' HB2' ' SD ' ' A' ' 46' ' ' MET . . . -63.98 -43.88 94.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.811 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -64.03 -45.5 88.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' A' ' 101' ' ' ILE . 13.9 mm -70.39 -15.36 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.75 -42.41 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.041 HD11 ' CD1' ' A' ' 63' ' ' LEU . 62.0 mt -70.13 -63.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.394 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.684 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -48.26 -22.05 0.6 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.605 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.5 OUTLIER -73.02 -27.81 61.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 111.006 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 144' ' ' LEU . 6.6 mpt_? -92.12 25.28 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.46 31.19 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.054 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.78 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.719 HD12 ' N ' ' A' ' 151' ' ' GLU . 0.8 OUTLIER -98.85 -160.69 0.82 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.719 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.701 ' O ' ' N ' ' A' ' 26' ' ' GLN . 5.8 ptp . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.495 0.188 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.548 ' N ' ' CG ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -67.24 -53.2 32.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.29 -4.14 24.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.488 ' O ' HG13 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -117.36 -17.42 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.359 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.701 ' N ' ' O ' ' A' ' 22' ' ' MET . 6.5 pt20 -51.54 -17.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -96.57 38.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -177.52 30.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.845 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.6 pp -136.83 -145.01 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.466 ' H ' ' HB ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -157.59 -81.18 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.564 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.44 19.34 29.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.513 1.133 . . . . 0.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.564 ' C ' ' O ' ' A' ' 31' ' ' GLY . 57.3 t-105 29.46 -95.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.683 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER 174.9 -173.98 0.07 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . -116.9 -173.99 16.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.518 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 6.3 mptt 66.42 -75.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 3.1 m-20 154.4 145.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 33' ' ' GLU . 3.2 mt -134.59 -45.51 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.375 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' HA2' ' CB ' ' A' ' 42' ' ' ASN . . . -77.54 2.61 62.31 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.498 1.123 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -100.55 -17.27 17.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 110.229 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.3 m -152.3 25.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 108.227 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER 177.8 -158.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.278 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 54.9 t30 79.22 29.48 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -8.09 34.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.612 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER 55.16 102.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.974 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.152 ' CD1' HD21 ' A' ' 144' ' ' LEU . 15.5 mt -78.17 -72.48 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.371 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.538 ' HG3' HG22 ' A' ' 45' ' ' ILE . 2.3 mtp -139.71 133.4 30.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.591 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -110.22 116.67 31.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 61' ' ' ILE . . . -148.49 160.79 28.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.444 1.09 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.454 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -113.06 116.17 29.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 110.399 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.927 HD13 ' CG1' ' A' ' 61' ' ' ILE . 2.6 mp -118.18 146.02 44.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -98.35 143.49 28.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 110.482 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 52' ' ' ARG . 2.4 ptm85 -99.98 105.45 17.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.809 HG12 ' H ' ' A' ' 54' ' ' GLY . 3.3 t -71.44 -176.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.143 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.809 ' H ' HG12 ' A' ' 53' ' ' VAL . . . 76.38 1.46 70.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.454 1.096 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -156.7 -40.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.7 OUTLIER 89.71 78.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.357 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.561 ' CE1' ' ND2' ' A' ' 74' ' ' ASN . 73.0 t60 -153.61 153.18 31.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.595 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.529 ' O ' ' CD2' ' A' ' 57' ' ' HIS . 1.5 mt-10 -105.87 159.03 16.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.343 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.516 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 7.5 ptm180 -160.42 112.77 2.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.591 1.182 . . . . 0.0 110.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.594 ' CB ' ' CD2' ' A' ' 88' ' ' TYR . 18.2 t60 -66.01 92.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.591 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.927 ' CG1' HD13 ' A' ' 50' ' ' LEU . 48.8 mm -62.0 155.33 4.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -170.34 82.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.623 HD23 ' H ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -71.51 125.09 26.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 7.7 m-30 -98.0 157.0 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.858 ' HA ' HD11 ' A' ' 45' ' ' ILE . 6.7 t0 -69.27 -0.83 6.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.05 -28.36 3.39 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 68' ' ' MET . 0.5 OUTLIER -174.16 174.75 2.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.746 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -89.76 104.79 17.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.963 HD12 HD21 ' A' ' 90' ' ' LEU . 6.4 mm -100.34 131.8 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.669 ' HB3' HD13 ' A' ' 61' ' ' ILE . 5.7 m -136.31 111.92 9.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.278 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 60' ' ' HIS . 0.8 OUTLIER -90.97 103.37 16.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.122 . . . . 0.0 108.281 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 2.0 ptmt -59.68 151.13 25.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.534 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 35.0 t -140.87 124.4 16.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.192 . . . . 0.0 110.01 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.561 ' ND2' ' CE1' ' A' ' 57' ' ' HIS . 0.9 OUTLIER -116.24 -155.15 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.83 51.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.624 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.19 -69.79 0.44 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -147.84 65.54 9.11 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.52 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.3 Cg_endo -75.01 -171.53 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.548 1.815 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.3 OUTLIER 85.13 14.35 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 37.3 mt -56.71 -44.78 99.9 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.93 -0.66 10.21 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.618 ' O ' ' HB2' ' A' ' 83' ' ' ALA . . . 97.71 -53.62 1.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 82' ' ' GLY . . . 167.63 103.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 86' ' ' ALA . 14.5 m -127.44 22.89 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.936 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 27' ' ' LYS . 12.2 m120 39.31 31.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.845 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -107.92 60.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -32.22 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.594 ' CD2' ' CB ' ' A' ' 60' ' ' HIS . 1.1 m-85 -118.01 143.88 46.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -88.17 120.35 29.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.089 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.963 HD21 HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -57.6 142.52 44.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.629 ' H ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -133.25 130.95 39.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -85.16 116.37 23.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 68' ' ' MET . 1.7 mmtt -133.5 75.68 1.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.452 ' HA ' ' HB2' ' A' ' 67' ' ' LEU . 12.2 p90 -76.66 75.03 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.147 ' CD2' HD13 ' A' ' 118' ' ' LEU . 3.7 m-85 -138.01 -0.16 2.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.932 ' HB2' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.62 -36.13 44.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.416 ' N ' ' HG2' ' A' ' 96' ' ' MET . 4.3 ttm-85 -62.37 -6.86 3.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 95' ' ' PHE . 8.0 tttt -171.44 105.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.693 HG21 ' HG ' ' A' ' 141' ' ' LEU . 1.5 m -138.88 161.81 29.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 117' ' ' ILE . 5.2 mt-30 -147.17 128.62 14.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -116.1 143.09 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.512 ' N ' HG13 ' A' ' 101' ' ' ILE . 9.2 t-20 -148.86 117.06 6.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.612 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 17.8 p-10 -76.64 78.49 3.3 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 77.16 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.666 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 34.4 t70 -158.22 -51.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.608 ' CB ' ' O ' ' A' ' 105' ' ' ASP . 16.0 t0 90.9 -172.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.789 HG22 ' O ' ' A' ' 111' ' ' LYS . 6.4 p -152.1 -61.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.378 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 107' ' ' THR . 3.0 t30 -39.89 -27.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.575 ' HG2' ' CE1' ' A' ' 110' ' ' TYR . 9.2 tt0 -124.49 -14.36 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.363 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.666 ' CG ' ' O ' ' A' ' 105' ' ' ASP . 5.1 m-85 -125.96 -168.47 1.85 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.789 ' O ' HG22 ' A' ' 107' ' ' THR . 3.4 tttt -79.87 -94.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.573 ' O ' ' HA ' ' A' ' 127' ' ' SER . 5.7 p-80 174.17 78.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.769 ' HB2' HG21 ' A' ' 53' ' ' VAL . . . -138.0 164.39 29.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.756 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -139.5 152.23 46.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.419 ' C ' HD13 ' A' ' 116' ' ' ILE . 2.2 mt-10 -84.72 101.85 12.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.368 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 101' ' ' ILE . 1.0 OUTLIER -89.58 107.06 17.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.362 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 100' ' ' GLN . 58.6 mt -101.24 86.41 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.244 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.147 HD13 ' CD2' ' A' ' 95' ' ' PHE . 3.4 pp -90.26 161.11 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.694 ' O ' HD12 ' A' ' 118' ' ' LEU . 17.6 tttp -45.37 175.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.411 1.069 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.574 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 8.1 t0 76.37 -0.33 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.236 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 60.89 60.65 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 110.314 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -137.85 124.77 21.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 83.1 p -100.76 150.23 23.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.066 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.671 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.8 OUTLIER -134.71 -179.94 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.728 HG22 ' HB1' ' A' ' 113' ' ' ALA . 7.4 mm -138.62 79.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.783 ' CD2' HD22 ' A' ' 50' ' ' LEU . 10.2 m-30 -73.95 124.25 25.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.573 ' HA ' ' O ' ' A' ' 112' ' ' HIS . 0.2 OUTLIER -103.64 113.32 26.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 110.015 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.175 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -114.76 132.29 56.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.168 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -106.62 19.47 20.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 133' ' ' GLU . 1.0 OUTLIER -131.66 110.74 11.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 110.031 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -45.58 -37.19 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -72.41 -37.49 68.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.805 ' O ' ' N ' ' A' ' 137' ' ' TRP . 18.0 mt-10 -62.33 -51.3 68.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.1 OUTLIER -52.32 -43.78 64.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.391 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.513 ' O ' ' HG3' ' A' ' 138' ' ' MET . 0.7 OUTLIER -69.31 -47.54 64.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.8 OUTLIER -76.19 -13.35 60.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.175 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 32.6 m0 -83.44 -43.36 15.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 108.059 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.533 ' HA ' HG21 ' A' ' 101' ' ' ILE . 0.3 OUTLIER -82.91 -35.33 26.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 111.027 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -65.18 -43.76 90.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.411 ' HB1' HD11 ' A' ' 63' ' ' LEU . . . -59.93 -42.72 94.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.693 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.8 OUTLIER -70.68 -46.75 62.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 101' ' ' ILE . 18.6 mm -66.82 -20.23 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 139' ' ' ALA . 2.4 m -70.17 -44.18 69.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.152 HD21 ' CD1' ' A' ' 45' ' ' ILE . 73.7 mt -70.38 -58.39 3.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.559 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -47.75 -23.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.284 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.861 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.4 OUTLIER -75.47 -29.95 59.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.3 OUTLIER -83.95 45.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.4 27.03 2.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -172.16 -38.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.402 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.861 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER -83.27 -161.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.776 ' N ' HD12 ' A' ' 150' ' ' LEU . 1.1 tp10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.537 ' O ' ' CB ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.513 0.197 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 7.8 p30 -77.62 -41.13 39.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.438 ' C ' ' HE3' ' A' ' 27' ' ' LYS . 12.4 pt-20 -88.88 1.1 55.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.81 HD11 ' CE1' ' A' ' 44' ' ' PHE . 21.8 mt -121.03 -24.0 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.575 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -47.61 -19.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -101.28 40.6 1.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -178.35 26.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.069 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 1.3 pp -122.5 -151.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.372 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.455 ' OD2' ' CZ ' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -153.67 -79.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.607 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -117.98 23.68 9.22 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.607 ' C ' ' O ' ' A' ' 31' ' ' GLY . 47.9 t-105 25.68 -95.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' GLY . 1.8 tt0 -174.02 -163.6 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.69 -144.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.442 1.089 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ASP . 0.6 OUTLIER -55.24 -18.24 5.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 0.795 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' LYS . 2.3 m-20 -38.46 149.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.556 ' O ' ' CZ2' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -136.37 -46.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.46 39.68 0.02 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.418 1.074 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -122.47 -5.07 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.737 . . . . 0.0 110.367 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 41' ' ' CYS . 15.1 m -111.43 -16.69 13.27 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.417 1.073 . . . . 0.0 108.264 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.826 ' SG ' HD23 ' A' ' 67' ' ' LEU . 27.0 p 175.91 98.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.545 1.153 . . . . 0.0 108.288 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -175.8 31.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' CB ' ' HB2' ' A' ' 65' ' ' ASP . 2.6 mm-40 -86.06 -8.86 57.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.81 ' CE1' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER 57.79 71.98 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.827 HD12 HD21 ' A' ' 144' ' ' LEU . 0.3 OUTLIER -67.54 -72.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.656 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -130.54 115.93 17.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.509 ' CB ' ' CE1' ' A' ' 62' ' ' PHE . 2.3 pt-20 -101.01 123.89 45.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.11 161.23 34.21 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.07 116.65 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.349 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.925 HD13 HG13 ' A' ' 61' ' ' ILE . 3.7 mp -110.88 140.88 44.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.568 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -93.09 137.24 32.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.398 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 6.8 ttp-105 -88.24 107.75 18.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.887 HG12 ' O ' ' A' ' 53' ' ' VAL . 1.4 t -92.34 76.26 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.692 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -162.19 24.24 0.22 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 163.55 -23.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.632 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER 98.75 82.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.554 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 82.3 m-70 -164.04 143.75 7.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.56 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 73' ' ' SER . 20.6 tt0 -111.21 167.79 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.603 ' NH2' HG12 ' A' ' 124' ' ' VAL . 4.6 ptt180 -163.09 123.62 2.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.572 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -71.42 95.49 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.574 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.925 HG13 HD13 ' A' ' 50' ' ' LEU . 41.4 mm -63.65 153.99 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.384 1.052 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 61' ' ' ILE . 10.0 m-85 -168.06 84.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.121 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -77.15 131.9 38.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.367 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.562 ' CE2' HG13 ' A' ' 69' ' ' ILE . 17.5 m-30 -103.05 160.77 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 111.022 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.501 ' CA ' HG13 ' A' ' 45' ' ' ILE . 2.4 t0 -73.0 5.34 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -119.38 -29.89 1.66 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.826 HD23 ' SG ' ' A' ' 41' ' ' CYS . 0.2 OUTLIER -176.43 161.16 2.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.243 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.686 ' CE ' HD11 ' A' ' 141' ' ' LEU . 0.0 OUTLIER -79.52 123.21 27.36 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.562 HG13 ' CE2' ' A' ' 64' ' ' PHE . 18.2 mm -121.64 122.89 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.555 ' HB3' HD13 ' A' ' 61' ' ' ILE . 8.3 m -120.22 133.86 55.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 108.299 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' A' ' 60' ' ' HIS . 2.3 m -107.97 121.53 44.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.469 1.106 . . . . 0.0 108.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.2 OUTLIER -74.17 133.01 42.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.58 ' HB2' ' CE1' ' A' ' 88' ' ' TYR . 58.3 p -128.9 122.33 30.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 0.0 109.976 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -146.99 125.25 12.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 68.4 167.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.666 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 77' ' ' GLN . . . 175.43 178.99 45.7 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.541 1.151 . . . . 0.0 111.059 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.453 ' O ' HD21 ' A' ' 80' ' ' LEU . 1.0 OUTLIER 165.35 -54.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -75.04 -161.94 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 67.41 29.21 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.599 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 4.2 mt -54.19 -46.55 98.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.92 -1.82 11.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 81' ' ' PRO . . . 42.31 95.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 84' ' ' SER . . . -164.75 -148.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 0.792 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.476 ' O ' ' ND2' ' A' ' 85' ' ' ASN . 9.5 m -37.87 117.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 84' ' ' SER . 0.4 OUTLIER 161.68 123.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.069 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -94.53 41.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.583 ' C ' ' O ' ' A' ' 86' ' ' ALA . 10.5 mt-10 -22.85 -56.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.357 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 73' ' ' SER . 2.9 m-85 -94.9 149.29 21.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.455 ' CZ ' ' OD2' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -97.34 124.5 41.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.029 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -57.67 153.27 13.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.668 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -139.37 125.04 19.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.51 116.69 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.548 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 9.8 mttt -132.66 76.23 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CA ' HD13 ' A' ' 67' ' ' LEU . 4.8 p90 -76.35 76.53 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.803 ' CE2' HD13 ' A' ' 118' ' ' LEU . 12.4 m-85 -132.95 -7.25 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.873 ' CB ' HD13 ' A' ' 144' ' ' LEU . 0.8 OUTLIER -49.9 -38.85 37.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 111.052 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.475 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.1 OUTLIER -60.63 -11.53 7.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.494 ' CG ' ' OE1' ' A' ' 145' ' ' GLN . 12.3 tttt -175.15 90.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.532 ' CG2' ' O ' ' A' ' 141' ' ' LEU . 5.5 m -110.2 -179.73 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -167.34 104.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.361 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.96 HD12 HD12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -94.74 135.91 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.378 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.6 m-20 -126.77 77.57 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.639 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 3.6 p-10 -59.98 82.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.484 ' CB ' ' HG3' ' A' ' 115' ' ' GLU . 9.8 tptt -90.0 77.54 6.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' A' ' 106' ' ' ASP . 2.9 t70 -152.03 -148.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.557 ' CB ' ' O ' ' A' ' 105' ' ' ASP . 4.7 m-20 151.72 -9.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 106' ' ' ASP . 61.2 p 51.44 -146.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.591 ' O ' ' CG ' ' A' ' 109' ' ' GLU . 3.2 m-80 45.55 18.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 108' ' ' ASN . 2.2 mt-10 -176.96 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.246 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -98.7 -169.79 1.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.628 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -84.02 -94.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.39 1.056 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.672 ' CD2' ' O ' ' A' ' 112' ' ' HIS . 0.6 OUTLIER -178.88 75.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 109.591 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 126' ' ' PHE . . . -157.3 168.81 26.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.664 ' HZ ' ' HB3' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -156.87 161.77 39.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.991 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.527 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -90.88 130.99 36.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.96 HD12 HD12 ' A' ' 101' ' ' ILE . 2.7 mm -110.21 169.02 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' GLN . 29.9 mt -154.81 94.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.803 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -101.4 104.34 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.772 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER 23.4 -152.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' A' ' 119' ' ' LYS . 22.3 t0 26.55 36.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 119' ' ' LYS . 5.3 tt0 33.3 36.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.268 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.503 ' HB3' HD11 ' A' ' 118' ' ' LEU . 5.7 m-20 -100.39 122.3 42.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -102.63 166.32 10.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.603 HG12 ' NH2' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -146.36 173.98 2.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.247 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.855 HG21 ' O ' ' A' ' 53' ' ' VAL . 2.9 mp -134.64 78.45 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.73 ' CD2' HD22 ' A' ' 50' ' ' LEU . 2.9 m-85 -72.21 164.47 26.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.68 ' OG ' HG23 ' A' ' 53' ' ' VAL . 67.7 m -143.69 99.3 3.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.02 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.095 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.72 148.37 25.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -118.87 -6.51 10.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.553 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 3.3 t -107.28 111.94 24.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.055 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -43.05 -36.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -70.91 -46.21 62.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.724 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 5.9 mm-40 -60.72 -38.48 85.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -63.07 -36.76 84.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 21.1 t-20 -82.81 -36.74 25.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.449 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 0.8 OUTLIER -76.96 -26.13 53.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.095 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 40.2 m0 -70.05 -50.31 42.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 108.044 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.519 ' HA ' HG21 ' A' ' 101' ' ' ILE . 1.1 ppp? -74.25 -39.96 62.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.943 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -62.92 -40.77 98.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 136' ' ' ASN . . . -59.99 -46.84 88.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.686 HD11 ' CE ' ' A' ' 68' ' ' MET . 0.5 OUTLIER -67.0 -48.63 67.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.54 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 2.7 mm -64.04 -19.75 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 139' ' ' ALA . 0.3 OUTLIER -68.37 -42.76 78.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.038 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.121 HD11 ' CD1' ' A' ' 63' ' ' LEU . 82.2 mt -71.86 -63.12 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.494 ' OE1' ' CG ' ' A' ' 98' ' ' LYS . 37.4 tp60 -44.06 -24.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.954 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -73.65 -40.35 63.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.2 mtp180 -79.28 50.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.63 33.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -177.5 -36.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 110.444 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.954 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.2 pp -79.32 -158.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.766 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.506 0.193 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' O ' ' HG2' ' A' ' 26' ' ' GLN . 2.8 p30 -69.65 -42.78 73.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.222 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -76.63 -14.04 60.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.764 HG23 HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -96.47 -34.31 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.552 ' CD ' ' CE ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -51.5 -19.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.552 ' CE ' ' CD ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -121.65 30.74 6.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.567 ' OD1' ' CG ' ' A' ' 88' ' ' TYR . 2.2 t-20 -137.43 -34.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.097 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.7 pp -54.24 -156.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' N ' HD12 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -142.81 -76.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.559 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -109.0 23.45 23.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.674 ' HZ2' HD12 ' A' ' 37' ' ' ILE . 66.7 t-105 28.8 -99.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' GLY . 2.6 mt-10 167.14 -163.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.098 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 33' ' ' GLU . . . -44.85 171.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.562 1.164 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -21.8 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 34' ' ' GLY . 5.9 m-20 -132.93 -169.25 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.799 HD13 ' N ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -138.82 71.33 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA3' ' SG ' ' A' ' 41' ' ' CYS . . . 111.93 -27.66 10.1 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.455 ' O ' ' CB ' ' A' ' 40' ' ' CYS . 32.8 mt-30 74.0 8.92 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.779 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 39' ' ' GLN . 0.1 OUTLIER 162.78 33.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.268 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.452 ' O ' ' O ' ' A' ' 37' ' ' ILE . 1.4 p -173.42 -167.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 108.313 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.454 ' CB ' ' O ' ' A' ' 37' ' ' ILE . 2.6 t30 56.58 40.52 29.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -73.79 -102.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 47' ' ' GLU . 2.7 t80 -154.81 106.07 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.731 HG21 HD12 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -82.85 -78.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.265 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.616 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -134.39 137.65 44.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.945 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.6 ' HB2' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -107.52 116.64 32.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -159.17 165.66 34.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.087 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.555 ' HB ' ' CG ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -123.36 121.17 35.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 0.731 . . . . 0.0 110.37 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.837 HD22 ' CD2' ' A' ' 126' ' ' PHE . 2.9 mp -112.84 146.68 38.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.553 HG22 ' HB3' ' A' ' 127' ' ' SER . 0.9 OUTLIER -91.68 137.76 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.388 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -91.51 80.58 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.864 HG12 HG21 ' A' ' 125' ' ' ILE . 1.0 OUTLIER -58.59 173.59 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.369 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.626 ' N ' HG13 ' A' ' 53' ' ' VAL . . . 100.85 -1.98 55.47 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.523 1.139 . . . . 0.0 110.94 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -172.13 -76.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 0.734 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.548 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 5.3 ptmt 160.25 71.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -135.26 148.82 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.62 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.586 ' O ' ' O ' ' A' ' 73' ' ' SER . 4.8 mp0 -141.82 152.96 44.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.409 1.068 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -163.35 152.62 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.555 ' CG ' ' HB ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -87.5 97.01 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.592 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.693 ' CG1' HD13 ' A' ' 50' ' ' LEU . 41.2 mm -69.3 113.84 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.6 ' CE1' ' HB2' ' A' ' 47' ' ' GLU . 1.5 m-30 -123.02 86.06 2.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.8 HD22 ' HE3' ' A' ' 68' ' ' MET . 0.3 OUTLIER -73.92 133.74 43.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CE2' HG13 ' A' ' 69' ' ' ILE . 19.6 m-30 -106.64 157.71 17.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.487 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -72.55 58.3 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.56 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 174.48 -35.84 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' A' ' 94' ' ' PHE . 15.5 mt -164.79 125.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.8 ' HE3' HD22 ' A' ' 63' ' ' LEU . 1.6 ttm -68.51 135.86 52.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 64' ' ' PHE . 38.3 mm -119.16 151.75 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 4.5 m -142.39 107.95 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 12.6 p -83.17 111.4 18.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 59' ' ' ARG . 10.6 tttt -58.08 137.06 57.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.599 ' OG ' ' CE2' ' A' ' 88' ' ' TYR . 5.0 m -139.79 147.37 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -150.47 169.25 21.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -90.3 98.71 11.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.085 . . . . 0.0 109.609 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.59 -161.05 33.91 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.447 1.092 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.33 123.79 16.81 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.3 Cg_endo -75.02 165.01 32.19 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.51 1.795 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 153.67 -16.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 1.174 . . . . 0.0 110.28 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.617 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 3.5 mt -51.89 -46.02 92.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -75.0 0.95 8.29 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.533 1.807 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.59 -55.1 3.34 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.442 1.089 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -49.17 138.72 11.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 0.744 . . . . 0.0 109.396 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.4 OUTLIER -109.43 164.4 12.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.665 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 8.1 m-20 80.86 140.09 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.097 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 81.5 48.56 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.0 mt-10 -36.18 -50.48 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.599 ' CE2' ' OG ' ' A' ' 73' ' ' SER . 13.2 m-30 -80.17 -177.8 6.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 111.03 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -133.75 112.53 11.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.368 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.0 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.73 140.9 54.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.08 . . . . 0.0 109.259 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.517 ' N ' HD22 ' A' ' 90' ' ' LEU . 19.4 tttt -127.75 145.66 50.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -88.2 117.25 26.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -123.07 97.57 5.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.224 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.764 ' HA ' HD22 ' A' ' 67' ' ' LEU . 39.9 m-85 -67.32 80.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.841 ' CD2' HG11 ' A' ' 99' ' ' VAL . 6.9 m-85 -101.91 -45.34 5.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.441 ' HA ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -44.36 -20.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.447 ' N ' ' C ' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -85.19 -50.75 7.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.28 142.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.841 HG11 ' CD2' ' A' ' 95' ' ' PHE . 16.3 m -145.36 -179.43 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.568 1.167 . . . . 0.0 109.247 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 117' ' ' ILE . 2.8 tt0 -164.46 102.45 0.83 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.989 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -95.31 135.93 27.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.408 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.8 OUTLIER -130.18 91.82 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.643 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 28.6 p-10 -68.5 79.58 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 115' ' ' GLU . 0.4 OUTLIER -104.23 79.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.528 ' OD2' HG23 ' A' ' 107' ' ' THR . 15.3 t0 -134.14 173.22 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.776 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.2 OUTLIER -148.47 17.6 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.648 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 12.51 -74.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.407 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.776 ' N ' ' O ' ' A' ' 106' ' ' ASP . 1.1 t30 -31.34 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.5 tt0 -110.73 -32.2 6.95 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.586 ' O ' ' O ' ' A' ' 107' ' ' THR . 9.6 m-30 -104.12 -166.58 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.614 1.196 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.592 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -84.18 -88.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 128' ' ' ALA . 1.5 t-160 -175.42 78.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.591 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.758 ' HB2' ' HB2' ' A' ' 127' ' ' SER . . . -167.87 161.08 12.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.682 ' HD1' HD11 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -135.79 173.3 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.456 ' HG2' ' CB ' ' A' ' 104' ' ' LYS . 4.9 pt-20 -95.36 121.68 37.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.989 HD12 HD12 ' A' ' 101' ' ' ILE . 3.8 mm -98.71 164.95 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 117' ' ' ILE . 74.3 mt -148.4 79.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.623 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 3.0 pp -82.26 172.83 12.68 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -52.8 -171.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.92 17.19 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 45.26 68.98 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -138.41 125.85 21.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 150.39 20.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.437 1.086 . . . . 0.0 110.008 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.55 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -137.68 174.78 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.864 HG21 HG12 ' A' ' 53' ' ' VAL . 4.5 mm -133.56 82.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.837 ' CD2' HD22 ' A' ' 50' ' ' LEU . 12.2 m-30 -75.69 145.18 41.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.437 1.085 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.758 ' HB2' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -124.51 111.52 15.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.97 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.111 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -111.19 143.87 41.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.67 -4.89 14.01 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.49 112.43 24.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -45.34 -37.84 5.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -68.7 -42.62 77.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.71 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 11.3 mm-40 -62.43 -38.67 90.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.0 OUTLIER -60.94 -36.83 80.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 138' ' ' MET . 58.0 t30 -84.0 -37.27 22.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.509 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 1.1 m-20 -77.38 -21.83 52.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.111 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 37.9 m0 -74.57 -50.31 18.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 108.002 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.446 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -71.66 -52.43 17.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.388 1.055 . . . . 0.0 111.009 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.446 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -52.13 -44.32 64.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 136' ' ' ASN . . . -59.46 -37.87 79.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.354 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.676 HD22 ' HB ' ' A' ' 101' ' ' ILE . 0.3 OUTLIER -68.99 -52.59 27.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.29 -17.3 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.3 t -69.93 -42.65 72.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.97 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 95' ' ' PHE . 15.8 mt -67.85 -63.47 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.778 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -46.9 -23.24 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.08 . . . . 0.0 110.256 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.828 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.2 OUTLIER -72.84 -31.17 64.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.145 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -86.16 43.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.251 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.3 31.95 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.29 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.828 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER -86.93 -159.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.729 ' N ' HD12 ' A' ' 150' ' ' LEU . 9.3 pt-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.358 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.703 ' O ' ' N ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.563 0.221 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.572 ' N ' ' SD ' ' A' ' 22' ' ' MET . 1.8 p-10 -67.42 -36.49 81.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -96.27 -0.17 50.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' O ' HG13 ' A' ' 29' ' ' ILE . 37.6 mt -118.69 -20.27 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.703 ' N ' ' O ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -54.33 -36.69 64.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 47.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' N ' ' HA ' ' A' ' 86' ' ' ALA . 2.5 t30 178.56 24.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.902 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.3 pp -131.52 -135.16 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.522 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -176.15 -80.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.571 ' H ' HD12 ' A' ' 90' ' ' LEU . . . -100.38 11.2 59.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.55 ' C ' ' O ' ' A' ' 31' ' ' GLY . 53.3 t-105 30.91 70.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.486 ' HB3' ' CG ' ' A' ' 92' ' ' GLU . 0.1 OUTLIER -82.54 -1.53 50.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 33' ' ' GLU . . . -44.51 170.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.43 -36.22 22.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 0.81 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.477 ' HB2' ' CG ' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -169.3 -174.7 2.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.55 HG22 ' H ' ' A' ' 38' ' ' GLY . 5.3 mt -78.67 -123.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.55 ' H ' HG22 ' A' ' 37' ' ' ILE . . . -98.67 29.48 11.51 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.477 ' CG ' ' HB2' ' A' ' 36' ' ' ASP . 11.9 pt20 -98.92 -29.47 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 110.347 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' CB ' ' OD1' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -139.95 28.94 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.329 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.8 p 167.75 99.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.257 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.467 ' ND2' ' CA ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -156.47 26.97 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.419 1.074 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 44' ' ' PHE . 25.7 mm-40 -133.71 59.05 1.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.641 ' O ' ' CD1' ' A' ' 44' ' ' PHE . 25.0 p90 -30.8 128.46 0.14 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.973 ' HB ' HD23 ' A' ' 63' ' ' LEU . 2.7 mt -97.27 -68.12 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.702 ' HG3' HD22 ' A' ' 63' ' ' LEU . 4.5 mtp -89.7 109.63 20.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.52 ' CG ' ' CD1' ' A' ' 44' ' ' PHE . 4.8 mm-40 -110.52 83.89 1.84 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.555 1.159 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -163.38 175.01 39.68 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.584 ' HB ' ' CD2' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -122.16 120.48 34.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 0.723 . . . . 0.0 110.433 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 HG13 ' A' ' 61' ' ' ILE . 4.3 mp -109.32 133.68 52.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.624 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.9 OUTLIER -78.91 135.83 37.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.361 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -93.66 93.64 8.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.104 . . . . 0.0 110.263 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.758 HG21 ' CB ' ' A' ' 113' ' ' ALA . 1.4 t -74.94 -175.84 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.746 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . 93.22 11.55 58.41 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 54' ' ' GLY . . . 89.58 59.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 0.728 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.44 ' CB ' ' HD2' ' A' ' 52' ' ' ARG . 0.8 OUTLIER -138.77 -111.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.474 ' CD2' ' HA ' ' A' ' 74' ' ' ASN . 0.7 OUTLIER -174.8 -174.7 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.609 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 4.9 mt-10 -70.26 161.6 30.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.326 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.496 ' NH2' HG11 ' A' ' 124' ' ' VAL . 25.6 mtm180 -159.72 113.6 2.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.646 ' ND1' ' CE2' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -68.05 120.82 14.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.606 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.899 HG13 HD13 ' A' ' 50' ' ' LEU . 39.0 mm -95.82 127.35 47.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.473 ' CE1' ' OE1' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -136.17 81.43 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.98 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.042 HD21 HD11 ' A' ' 144' ' ' LEU . 0.7 OUTLIER -71.78 127.73 33.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 67' ' ' LEU . 12.7 m-30 -101.63 143.12 31.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 45' ' ' ILE . 6.8 t0 -54.68 -17.06 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.439 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . -95.59 -39.37 4.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 64' ' ' PHE . 56.7 mt -157.27 178.47 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 0.714 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.845 ' HB2' HD12 ' A' ' 63' ' ' LEU . 13.5 ttm -103.83 114.15 28.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.415 HD13 ' HA ' ' A' ' 69' ' ' ILE . 9.4 mm -110.07 139.63 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.652 ' SG ' HD12 ' A' ' 61' ' ' ILE . 75.5 m -142.9 112.51 6.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 108.234 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 15.2 p -96.21 129.03 43.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 108.322 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -75.51 144.86 41.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.577 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 36.2 t -130.38 97.38 4.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.584 1.178 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.474 ' HA ' ' CD2' ' A' ' 57' ' ' HIS . 1.9 m-80 -115.9 -64.11 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 77' ' ' GLN . 0.6 OUTLIER -167.91 -169.39 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.582 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -128.65 36.57 2.42 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.535 ' HB2' ' CE1' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -72.95 -51.62 6.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.449 0.734 . . . . 0.0 110.272 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -75.01 -166.07 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.798 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 65.9 17.3 10.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.623 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 33.6 mt -55.41 -45.28 99.89 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.7 Cg_endo -74.92 -0.21 9.66 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.457 1.767 . . . . 0.0 111.044 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.653 ' O ' ' HB2' ' A' ' 83' ' ' ALA . . . -103.36 -94.84 2.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 82' ' ' GLY . . . 165.6 172.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.5 OUTLIER -68.81 -171.48 0.3 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.717 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 4.6 m120 81.15 137.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.902 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 85.65 46.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.182 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.7 mt-10 -32.12 -41.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.646 ' CE2' ' ND1' ' A' ' 60' ' ' HIS . 3.1 m-85 -112.3 138.55 48.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -81.43 116.65 21.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.027 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -56.94 151.61 14.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.695 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -137.92 123.05 19.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.486 ' CG ' ' HB3' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -65.93 123.69 20.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.677 ' O ' ' HB3' ' A' ' 68' ' ' MET . 22.1 mttt -148.44 73.48 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.652 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 42.7 p90 -78.24 76.2 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.652 ' CE2' HD13 ' A' ' 118' ' ' LEU . 0.8 OUTLIER -130.28 0.32 4.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.582 ' O ' ' HB3' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -51.61 -19.71 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.3 ttt180 -89.71 -4.17 57.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 119.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.866 HG21 ' HG ' ' A' ' 141' ' ' LEU . 1.2 m -145.65 179.46 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -164.54 109.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.225 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.666 HD12 HG12 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -98.32 138.61 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 104' ' ' LYS . 20.6 t30 -128.58 80.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.616 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 23.7 p-10 -60.8 82.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -107.76 79.04 1.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 113' ' ' ALA . 28.4 t0 -132.63 169.68 16.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.765 ' O ' ' N ' ' A' ' 108' ' ' ASN . 4.6 t0 -139.65 9.68 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.242 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.623 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 16.07 -77.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.765 ' N ' ' O ' ' A' ' 106' ' ' ASP . 93.8 m-20 -32.6 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 107' ' ' THR . 2.2 tt0 -113.91 -27.64 7.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.564 ' O ' ' O ' ' A' ' 107' ' ' THR . 14.0 m-30 -107.03 -168.56 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.545 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.3 OUTLIER -77.87 -93.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.545 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.8 OUTLIER -176.74 75.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.574 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.934 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -165.29 163.11 20.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.616 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -137.43 176.9 8.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.36 124.27 45.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.666 HG12 HD12 ' A' ' 101' ' ' ILE . 4.3 mp -118.13 141.63 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 17.8 mt -131.64 117.67 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.652 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -93.82 145.1 24.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.482 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -37.28 -31.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.643 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 4.6 t0 -43.69 -22.89 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.556 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 7.5 tt0 90.2 24.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.494 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 3.6 t-20 -122.73 167.57 13.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 8.0 p -118.97 166.32 13.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 1.096 . . . . 0.0 109.968 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.496 HG11 ' NH2' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -149.4 176.72 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.35 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 114' ' ' PHE . 20.3 mt -141.3 84.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.355 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.591 ' HB2' HD11 ' A' ' 116' ' ' ILE . 4.4 m-85 -80.35 144.39 32.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.934 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.5 OUTLIER -124.25 108.75 12.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.139 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -108.0 146.06 33.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 9.92 14.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.2 112.32 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' A' ' 134' ' ' LYS . . . -47.23 -27.97 1.72 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -77.08 -44.99 28.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.374 1.046 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.776 ' O ' ' N ' ' A' ' 137' ' ' TRP . 15.5 mt-10 -63.65 -43.74 95.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 131' ' ' ALA . 9.7 pttt -57.42 -37.76 73.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.473 ' N ' ' HG3' ' A' ' 134' ' ' LYS . 2.4 t30 -81.7 -40.13 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.2 m-80 -77.36 -21.04 53.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.139 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 36.5 m0 -73.31 -45.64 54.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 108.111 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.471 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -80.65 -48.31 12.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.981 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.445 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -52.3 -48.2 65.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.65 ' HB3' ' SD ' ' A' ' 46' ' ' MET . . . -55.65 -42.48 75.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.866 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -66.18 -52.51 47.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.63 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 19.4 mm -64.15 -17.38 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.065 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 139' ' ' ALA . 7.6 t -69.01 -46.36 68.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.042 HD11 HD21 ' A' ' 63' ' ' LEU . 17.7 mt -69.4 -61.23 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 99' ' ' VAL . 6.6 tt0 -47.1 -22.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.355 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.63 ' CE1' ' CG2' ' A' ' 142' ' ' ILE . 0.9 OUTLIER -75.88 -26.69 57.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 111.092 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 144' ' ' LEU . 19.0 mtp85 -86.06 7.71 23.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.285 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.19 29.63 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.961 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -174.94 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.079 . . . . 0.0 110.384 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 151' ' ' GLU . 0.8 OUTLIER -106.21 -160.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.66 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.564 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.582 0.229 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 22' ' ' MET . 1.4 p-10 -70.52 -60.26 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.432 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 3.4 pt-20 -66.65 -9.7 38.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.619 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 2.2 mt -102.25 -28.27 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.564 ' CG ' ' O ' ' A' ' 22' ' ' MET . 1.4 mm-40 -50.79 -27.24 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HD2' ' ND2' ' A' ' 85' ' ' ASN . 1.2 mmtp -94.63 32.39 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.419 ' CA ' ' HA ' ' A' ' 86' ' ' ALA . 1.8 t-20 -160.97 22.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.366 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.714 HG22 ' CB ' ' A' ' 90' ' ' LEU . 1.8 pp -122.05 -128.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' N ' HD12 ' A' ' 29' ' ' ILE . 2.5 t70 -165.13 -72.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.647 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -126.3 16.91 6.66 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.436 1.085 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.647 ' C ' ' O ' ' A' ' 31' ' ' GLY . 32.7 t-105 20.69 -94.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER -172.42 -158.87 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . -62.29 -159.44 0.15 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.41 1.069 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' ILE . 4.5 mptt -63.28 82.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.436 ' HB3' ' NE1' ' A' ' 32' ' ' TRP . 3.8 p30 -44.66 96.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.649 HD13 ' O ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -100.98 23.34 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 66.7 33.2 83.59 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.416 1.073 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -109.25 -24.05 11.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.909 ' HB3' HD11 ' A' ' 67' ' ' LEU . 84.1 m -106.63 8.0 30.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.6 ' HB2' ' CD2' ' A' ' 64' ' ' PHE . 5.6 t 169.28 113.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.319 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -142.84 16.08 1.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.395 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER 176.49 70.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 35.4 p90 -32.67 113.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.485 ' HB ' ' CD1' ' A' ' 63' ' ' LEU . 3.4 mm -53.05 -61.95 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.515 ' SD ' ' CB ' ' A' ' 140' ' ' ALA . 1.1 ptm -144.14 142.61 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.083 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.531 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 15.0 pt-20 -119.93 119.13 32.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 61' ' ' ILE . . . -155.7 166.55 32.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.747 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -120.14 118.82 31.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.392 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.908 HD13 ' CG1' ' A' ' 61' ' ' ILE . 0.4 OUTLIER -115.09 142.7 46.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 126' ' ' PHE . 0.8 OUTLIER -77.59 121.87 24.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HD3' ' HB3' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -83.28 98.0 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.31 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.805 HG21 ' HB3' ' A' ' 113' ' ' ALA . 2.0 t -74.27 -176.92 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.71 ' H ' HG12 ' A' ' 53' ' ' VAL . . . 75.65 1.39 66.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.611 ' O ' ' CB ' ' A' ' 56' ' ' LYS . . . -150.01 -42.45 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 0.775 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 1.3 tttt 96.11 67.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.586 ' CE1' ' ND2' ' A' ' 74' ' ' ASN . 91.5 m-70 -161.41 167.81 24.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.632 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 73' ' ' SER . 1.3 mp0 -112.28 158.11 20.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.511 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 21.2 mtm180 -148.31 117.21 6.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 71' ' ' CYS . 1.4 t60 -66.96 92.06 0.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 109.554 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.161 HD11 ' CZ ' ' A' ' 126' ' ' PHE . 17.3 mm -59.64 153.36 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -170.72 90.5 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.391 1.057 . . . . 0.0 110.99 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.974 HD13 HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -88.81 129.07 35.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.6 ' CD2' ' HB2' ' A' ' 41' ' ' CYS . 16.7 m-85 -99.75 151.72 20.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.421 1.076 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' HA ' ' CG1' ' A' ' 45' ' ' ILE . 7.6 t0 -59.57 -16.86 28.13 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.809 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -91.59 -36.62 6.43 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.427 1.08 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.909 HD11 ' HB3' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -174.32 147.47 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 0.802 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.529 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -78.94 138.09 37.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.94 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.797 ' C ' HD12 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -147.89 136.86 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.607 ' N ' HD12 ' A' ' 69' ' ' ILE . 13.5 p -109.36 154.79 22.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 108.302 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' A' ' 60' ' ' HIS . 3.9 m -118.45 107.46 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -73.57 121.32 20.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 58' ' ' GLU . 11.9 p -123.43 105.79 10.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.075 . . . . 0.0 110.027 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.586 ' ND2' ' CE1' ' A' ' 57' ' ' HIS . 1.7 t-20 -137.75 84.79 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.167 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.18 142.79 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.564 1.165 . . . . 0.0 109.611 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.45 164.79 17.9 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.73 157.17 46.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.62 0.835 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.2 Cg_endo -75.02 -170.4 0.78 Allowed 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.475 1.776 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 80.75 23.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.602 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -66.66 -46.78 57.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.94 -0.1 9.53 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.424 1.749 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -103.99 40.15 2.55 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 64.57 88.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 0.78 . . . . 0.0 109.278 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 1.0 OUTLIER -147.77 -167.95 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.145 . . . . 0.0 109.976 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.769 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 11.8 m-20 151.89 141.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 85' ' ' ASN . . . 91.3 46.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 86' ' ' ALA . 14.2 mt-10 -35.8 -49.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 86' ' ' ALA . 8.9 m-85 -83.62 -160.84 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -141.38 136.14 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.009 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -93.76 156.02 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.685 ' N ' HD22 ' A' ' 90' ' ' LEU . 4.6 tttt -139.89 100.44 3.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.18 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.545 ' HG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -58.54 132.25 53.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 68' ' ' MET . 0.8 OUTLIER -136.55 75.41 1.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.655 ' CD1' HD13 ' A' ' 67' ' ' LEU . 20.0 m-85 -60.91 79.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.936 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.039 ' CE2' HD13 ' A' ' 118' ' ' LEU . 13.2 m-85 -139.93 6.47 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.891 ' HA ' HD13 ' A' ' 144' ' ' LEU . 1.3 tmt? -57.04 -14.1 3.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 98' ' ' LYS . 9.5 ttt180 -97.1 -7.11 33.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 110.241 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 97' ' ' ARG . 2.4 mttt -175.06 130.32 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.662 ' CG2' HD23 ' A' ' 141' ' ' LEU . 2.4 m -151.99 -179.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.373 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' A' ' 117' ' ' ILE . 6.2 mt-30 -158.27 76.9 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.839 HG12 HG23 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -77.67 135.78 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.549 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.2 m-20 -128.3 75.54 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.787 ' HA ' ' HB2' ' A' ' 114' ' ' PHE . 11.8 p-10 -59.22 78.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -107.01 71.75 0.85 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.57 ' HB3' ' N ' ' A' ' 114' ' ' PHE . 2.4 p-10 -128.4 -152.31 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.602 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 2.9 m-20 -170.21 -173.19 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 108' ' ' ASN . 5.7 t -177.82 -149.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.445 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.588 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 64.5 t30 50.39 16.61 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.588 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 9.6 tt0 153.73 -20.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.602 ' CD2' ' HB2' ' A' ' 106' ' ' ASP . 0.2 OUTLIER -95.84 -167.37 1.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.408 ' H ' ' H ' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -163.2 -17.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.567 ' O ' ' HB2' ' A' ' 105' ' ' ASP . 13.8 t-160 -53.2 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.805 ' HB3' HG21 ' A' ' 53' ' ' VAL . . . -50.02 -179.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.821 ' HZ ' HD23 ' A' ' 50' ' ' LEU . 44.7 p90 -102.95 165.64 10.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -107.75 144.07 35.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 110.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.839 HG23 HG12 ' A' ' 101' ' ' ILE . 2.6 mp -118.81 156.59 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 100' ' ' GLN . 56.5 mt -148.18 103.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.039 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -106.64 176.15 5.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.519 ' CB ' ' CD1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -51.49 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 6.4 m-20 60.87 13.06 4.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 49.51 72.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 117' ' ' ILE . 1.0 OUTLIER -139.2 141.71 37.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.559 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.0 OUTLIER -119.5 159.49 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.546 ' HB ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -142.96 178.85 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.496 ' CG2' ' HB ' ' A' ' 53' ' ' VAL . 6.9 mt -142.81 84.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.337 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 1.161 ' CZ ' HD11 ' A' ' 61' ' ' ILE . 8.6 m-85 -96.56 136.42 37.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.628 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 0.4 OUTLIER -108.24 126.74 53.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.944 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.074 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -111.78 140.63 46.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -114.63 13.48 17.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.47 ' CB ' ' HG3' ' A' ' 133' ' ' GLU . 1.2 m -130.72 113.68 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.491 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -47.63 -35.59 9.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.348 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -74.25 -38.87 63.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.805 ' O ' ' N ' ' A' ' 137' ' ' TRP . 29.1 mt-10 -62.54 -48.26 80.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.543 ' O ' ' HG2' ' A' ' 138' ' ' MET . 10.2 ptmt -53.87 -44.64 70.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.1 t30 -70.11 -46.28 65.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -75.94 -15.22 60.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.074 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 29.0 m0 -80.14 -40.96 26.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 108.028 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.627 ' HA ' HG21 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -89.8 -35.21 15.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -61.81 -46.76 88.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.515 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -56.04 -49.2 74.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.662 HD23 ' CG2' ' A' ' 99' ' ' VAL . 0.1 OUTLIER -66.1 -47.65 73.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.525 HG12 HG22 ' A' ' 101' ' ' ILE . 13.8 mm -61.49 -22.53 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 139' ' ' ALA . 5.9 t -69.36 -38.49 78.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.068 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.974 HD11 HD13 ' A' ' 63' ' ' LEU . 82.5 mt -68.75 -62.78 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.522 ' HB2' HG22 ' A' ' 99' ' ' VAL . 40.5 tp60 -47.06 -22.97 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.861 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.9 OUTLIER -82.39 -40.05 21.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -77.21 51.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.629 1.206 . . . . 0.0 110.345 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.35 33.34 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -179.55 -36.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.861 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.0 OUTLIER -83.38 -157.62 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.633 ' N ' HD12 ' A' ' 150' ' ' LEU . 11.0 pt-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.604 ' HB3' ' CZ ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.468 0.175 . . . . 0.0 111.045 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.573 ' O ' ' CD ' ' A' ' 27' ' ' LYS . 7.7 p30 -69.16 -33.06 72.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 4.8 pt-20 -91.31 -7.13 51.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.371 1.044 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.737 HG23 HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -106.4 -32.89 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.392 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' MET . 0.6 OUTLIER -47.24 -26.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.573 ' CD ' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -116.98 42.19 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.601 ' CG ' ' CD2' ' A' ' 88' ' ' TYR . 1.2 m-20 -148.3 -30.86 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.331 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.064 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -56.37 -161.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.5 OUTLIER -145.69 -84.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.555 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -104.19 8.95 49.67 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.579 1.175 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.66 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 34.4 t-105 29.88 48.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 31' ' ' GLY . 1.4 tt0 39.65 -153.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.142 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 33' ' ' GLU . . . -59.63 -125.68 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -114.89 91.11 3.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.441 ' OD2' ' CD1' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -106.46 150.77 25.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -153.48 -46.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.459 ' HA2' ' CB ' ' A' ' 42' ' ' ASN . . . 164.61 40.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -102.16 -20.81 14.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.417 ' O ' ' HA3' ' A' ' 66' ' ' GLY . 0.5 OUTLIER -173.81 40.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 108.376 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 42' ' ' ASN . 2.1 p 165.51 97.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.444 1.09 . . . . 0.0 108.33 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.459 ' CB ' ' HA2' ' A' ' 38' ' ' GLY . 47.1 t30 172.48 32.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -108.34 0.91 21.49 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' CZ ' ' HB3' ' A' ' 22' ' ' MET . 11.3 m-85 33.57 62.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.876 HD12 HD21 ' A' ' 144' ' ' LEU . 1.0 OUTLIER -42.69 -65.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.59 ' CG ' HG22 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -138.24 135.51 35.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.019 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.598 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 1.9 mp0 -115.2 115.93 27.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -163.74 163.32 35.7 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.468 ' HB ' ' CD2' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -115.79 121.45 42.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 0.744 . . . . 0.0 110.414 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.899 HD13 HG13 ' A' ' 61' ' ' ILE . 3.8 mp -112.79 144.89 41.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.8 OUTLIER -100.84 144.37 29.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.403 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.479 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.7 ttp85 -93.35 102.53 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.845 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.4 t -77.67 71.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.715 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -149.72 7.09 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 159.87 39.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 0.722 . . . . 0.0 109.352 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 55' ' ' ALA . 4.6 pttm 44.39 75.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -137.71 144.62 41.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.602 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 24.9 mt-10 -114.41 163.24 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -160.82 126.24 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.468 ' CD2' ' HB ' ' A' ' 49' ' ' THR . 0.4 OUTLIER -79.64 101.9 8.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 0.0 109.634 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.899 HG13 HD13 ' A' ' 50' ' ' LEU . 27.8 mm -78.98 143.15 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CD2' ' O ' ' A' ' 61' ' ' ILE . 17.1 m-85 -164.4 89.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -87.95 130.71 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.931 ' O ' ' N ' ' A' ' 66' ' ' GLY . 5.1 m-85 -115.45 73.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.481 ' CA ' HG13 ' A' ' 45' ' ' ILE . 25.2 t0 38.76 -71.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.931 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . -36.14 -44.39 0.78 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -175.08 156.3 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.64 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -87.07 121.53 29.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 91' ' ' LYS . 29.1 mm -107.75 141.8 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.466 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 4.6 m -125.49 122.3 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 108.351 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.3 m -89.8 138.12 31.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 108.313 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -87.84 112.72 22.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.564 ' HB2' ' CD2' ' A' ' 88' ' ' TYR . 2.2 t -117.42 100.33 7.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.044 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -89.18 -11.22 44.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.588 ' C ' ' CD2' ' A' ' 75' ' ' HIS . 0.0 OUTLIER 79.34 -54.73 0.42 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.593 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 78' ' ' PRO . . . -35.87 133.12 0.7 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 76' ' ' GLY . 0.8 OUTLIER -34.84 95.78 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.777 . . . . 0.0 110.322 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.4 Cg_endo -74.98 -169.11 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 1.8 tmt_? 82.82 14.81 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.336 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.63 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 24.1 mt -61.68 -45.22 93.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.4 Cg_endo -74.99 -0.73 10.33 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.455 ' O ' ' C ' ' A' ' 83' ' ' ALA . . . 90.05 -68.84 2.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.609 1.193 . . . . 0.0 111.039 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 82' ' ' GLY . . . 35.89 -150.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.6 0.823 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.25 93.86 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.487 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 6.7 m-20 64.9 92.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.064 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 176.42 49.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 86' ' ' ALA . 20.8 mt-10 -34.25 -34.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.601 ' CD2' ' CG ' ' A' ' 28' ' ' ASN . 11.2 m-30 -108.9 -168.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.451 ' HG3' ' CB ' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -142.76 118.33 10.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.694 HD22 ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.38 156.44 10.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.345 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.655 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.1 tppt? -140.06 151.77 45.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.49 120.96 30.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.622 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -139.97 79.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -62.48 80.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.922 ' CE1' HD22 ' A' ' 118' ' ' LEU . 3.1 m-85 -90.67 -37.66 13.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.569 ' HA ' HD22 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -50.61 -17.71 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' PHE . 19.8 ttt180 -83.47 -52.65 6.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.275 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' C ' HG13 ' A' ' 99' ' ' VAL . 4.8 tttt -175.98 141.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.716 HG21 HD23 ' A' ' 141' ' ' LEU . 4.2 m -151.33 -177.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.577 ' N ' ' O ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -160.03 79.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.862 HG12 HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -74.0 112.02 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.464 ' O ' ' O ' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -112.5 81.63 1.51 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.612 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 5.6 p-10 -78.36 113.28 16.21 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -129.75 75.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.264 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.91 178.42 4.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.767 ' O ' ' N ' ' A' ' 108' ' ' ASN . 44.9 m-20 -146.87 14.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 111' ' ' LYS . 0.0 OUTLIER 14.83 -76.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.767 ' N ' ' O ' ' A' ' 106' ' ' ASP . 0.8 OUTLIER -32.58 -32.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.6 tt0 -113.05 -28.55 7.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.584 ' O ' ' O ' ' A' ' 107' ' ' THR . 10.7 m-30 -109.53 -166.28 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.739 ' O ' HG22 ' A' ' 107' ' ' THR . 0.2 OUTLIER -82.33 -95.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.54 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 4.9 t-80 -175.33 78.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.61 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.614 ' HB1' ' O ' ' A' ' 126' ' ' PHE . . . -158.46 164.27 36.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.612 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -143.03 164.14 30.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.591 ' C ' HD13 ' A' ' 116' ' ' ILE . 1.9 mt-10 -93.64 129.3 39.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.862 HD12 HG12 ' A' ' 101' ' ' ILE . 1.5 mm -110.38 156.6 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.577 ' O ' ' N ' ' A' ' 100' ' ' GLN . 84.5 mt -147.8 129.65 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.922 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -122.48 136.99 55.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.362 1.039 . . . . 0.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.479 ' C ' ' N ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -40.74 -30.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 121' ' ' GLU . 0.5 OUTLIER -45.23 -22.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.549 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 4.9 tt0 91.18 39.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -146.23 154.23 41.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.392 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 92.3 p -120.39 164.39 16.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.968 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -140.67 173.28 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.824 HG22 ' HB ' ' A' ' 53' ' ' VAL . 4.8 mp -138.87 79.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.626 ' CD2' HD22 ' A' ' 50' ' ' LEU . 4.3 m-85 -69.69 153.43 43.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.599 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -139.14 103.58 4.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.979 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.114 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -102.64 163.36 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -120.56 -5.7 9.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.372 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.536 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -111.72 118.22 35.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' A' ' 134' ' ' LYS . . . -49.25 -29.42 5.76 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -76.36 -42.52 44.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.696 ' O ' ' N ' ' A' ' 137' ' ' TRP . 7.5 mm-40 -59.52 -44.58 93.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 131' ' ' ALA . 11.4 pttt -59.22 -40.51 86.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' ' 138' ' ' MET . 0.7 OUTLIER -75.79 -39.01 57.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.5 OUTLIER -79.83 -17.57 52.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.114 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 35.8 m0 -78.22 -47.38 18.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 108.038 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.455 ' HG3' ' H ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -74.82 -46.91 33.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 111.059 179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.455 ' H ' ' HG3' ' A' ' 138' ' ' MET . . . -55.36 -44.54 76.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.502 ' HB2' ' SD ' ' A' ' 46' ' ' MET . . . -58.9 -37.96 77.81 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.716 HD23 HG21 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -70.77 -52.62 19.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.528 HG12 HG22 ' A' ' 101' ' ' ILE . 25.6 mm -64.31 -20.9 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 139' ' ' ALA . 45.0 t -71.11 -38.41 72.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.085 . . . . 0.0 109.991 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.876 HD21 HD12 ' A' ' 45' ' ' ILE . 22.9 mt -67.71 -63.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.596 ' HB2' HG22 ' A' ' 99' ' ' VAL . 7.7 tm0? -45.7 -24.45 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.373 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.788 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.2 OUTLIER -72.34 -29.19 63.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -85.79 42.9 1.0 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 110.199 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.98 38.87 3.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.409 1.068 . . . . 0.0 110.021 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 176.8 -35.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 146' ' ' TYR . 0.9 OUTLIER -92.78 -160.05 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.731 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.362 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' GLN . 4.8 mtp . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.565 0.222 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.401 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 14.6 p-10 -72.15 -31.52 66.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -92.94 -11.37 33.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.564 HD11 ' CG ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -101.53 -33.23 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 22' ' ' MET . 1.2 mm-40 -53.58 -21.31 6.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -98.0 51.02 1.03 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.511 ' O ' ' O ' ' A' ' 29' ' ' ILE . 6.3 t30 -173.61 -37.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.08 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.2 pp -54.58 -158.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -141.49 -77.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.554 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -108.03 9.19 36.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 32' ' ' TRP . 7.9 t-105 30.65 76.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.508 ' OE1' HD21 ' A' ' 90' ' ' LEU . 1.7 mp0 -47.59 167.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 59.01 149.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -41.62 26.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.884 ' C ' HD12 ' A' ' 37' ' ' ILE . 8.9 p-10 -165.15 130.92 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.352 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.884 HD12 ' C ' ' A' ' 36' ' ' ASP . 4.4 mp -151.51 -44.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 109.367 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' CYS . . . -45.35 -23.83 0.86 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 37' ' ' ILE . 8.0 mt-30 -83.67 -44.75 14.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.92 -22.57 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 108.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' GLY . 28.9 p -179.64 -135.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.267 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.506 ' CA ' ' HB3' ' A' ' 64' ' ' PHE . 1.4 m-20 54.13 35.53 22.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.564 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER -67.02 102.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.318 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.608 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -21.38 94.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.625 HG22 ' CG ' ' A' ' 46' ' ' MET . 0.6 OUTLIER -70.43 -74.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.243 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.76 ' HB2' HD21 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -133.85 139.5 46.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.091 . . . . 0.0 111.025 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.584 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -115.21 135.49 54.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -170.87 170.97 43.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.453 1.095 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.794 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -123.92 114.67 20.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 110.405 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.896 HD13 HG13 ' A' ' 61' ' ' ILE . 3.4 mp -113.15 144.01 43.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.431 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -102.38 148.14 25.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.436 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.542 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 1.1 ttt180 -95.11 104.78 16.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.855 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.1 t -81.38 73.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.729 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -160.9 23.88 0.25 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 160.22 -20.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.587 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 16.9 tttp 94.2 77.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' ' HB3' ' A' ' 55' ' ' ALA . 89.2 m-70 -140.79 149.96 42.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.599 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' SER . 39.7 tt0 -122.38 157.52 31.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.483 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 1.7 ptp85 -160.99 137.68 8.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.794 ' HA ' HG23 ' A' ' 49' ' ' THR . 2.5 t60 -83.71 89.83 7.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.665 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.896 HG13 HD13 ' A' ' 50' ' ' LEU . 34.2 mm -59.97 146.5 10.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 109.228 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -161.04 84.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.76 HD21 ' HB2' ' A' ' 46' ' ' MET . 0.6 OUTLIER -76.56 128.55 34.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 67' ' ' LEU . 16.8 m-85 -103.88 153.77 20.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 43' ' ' GLU . 1.7 t0 -72.88 57.26 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 172.53 -30.39 0.11 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.563 HD22 ' CB ' ' A' ' 94' ' ' PHE . 24.5 mt -158.45 129.52 6.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.705 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -85.5 109.58 18.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.948 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.577 HG22 ' O ' ' A' ' 62' ' ' PHE . 1.2 tp -99.15 165.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . 0.8 OUTLIER -152.08 91.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.259 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 60' ' ' HIS . 5.3 m -67.64 110.96 3.94 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 108.295 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 0.3 OUTLIER -71.53 161.86 30.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.627 ' CB ' ' CE2' ' A' ' 88' ' ' TYR . 0.0 OUTLIER -158.35 110.5 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.512 ' OD1' ' CD2' ' A' ' 75' ' ' HIS . 8.9 t-20 -113.85 -70.04 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.512 ' CD2' ' OD1' ' A' ' 74' ' ' ASN . 0.5 OUTLIER -167.8 -168.56 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.622 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 171.45 106.0 0.19 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.497 ' CB ' ' HD3' ' A' ' 78' ' ' PRO . 2.3 mt-30 -79.85 -57.01 0.71 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.51 0.771 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.497 ' HD3' ' CB ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -74.98 143.05 28.66 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.511 1.795 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -173.56 19.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 110.342 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.589 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -76.98 -47.13 2.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.0 Cg_endo -74.98 -0.18 9.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.53 107.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 85' ' ' ASN . . . -79.72 56.8 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 0.801 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 85' ' ' ASN . 0.2 OUTLIER 45.12 26.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.065 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.407 ' N ' ' C ' ' A' ' 83' ' ' ALA . 3.4 m-80 47.13 94.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.08 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -178.77 47.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' ALA . 22.1 mt-10 -35.69 -38.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.627 ' CE2' ' CB ' ' A' ' 73' ' ' SER . 4.3 m-85 -89.74 178.81 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.9 mtt85 -131.73 108.68 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.985 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.32 126.0 25.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.491 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -114.44 122.3 46.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.77 122.42 19.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 68' ' ' MET . 0.1 OUTLIER -139.6 77.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.676 ' CD2' ' O ' ' A' ' 94' ' ' PHE . 45.0 p90 -82.83 75.79 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.705 ' CE1' ' HB3' ' A' ' 68' ' ' MET . 44.7 p90 -128.25 -15.82 4.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.982 ' HB2' HD13 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -38.64 -39.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 111.075 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.546 ' N ' ' HG2' ' A' ' 96' ' ' MET . 2.2 ttm180 -52.11 -18.43 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -173.63 99.57 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.664 HG12 ' CD2' ' A' ' 95' ' ' PHE . 0.7 OUTLIER -118.08 -178.99 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.547 ' N ' HG23 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -166.43 108.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.528 HG21 ' HA ' ' A' ' 138' ' ' MET . 0.1 OUTLIER -95.8 141.93 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.498 ' N ' HG13 ' A' ' 101' ' ' ILE . 0.6 OUTLIER -137.16 93.35 2.82 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.733 ' HA ' ' HB3' ' A' ' 114' ' ' PHE . 18.3 p-10 -62.63 80.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -102.94 93.24 4.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.652 ' CB ' ' O ' ' A' ' 113' ' ' ALA . 3.2 t70 175.48 -149.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.566 ' C ' ' HB2' ' A' ' 110' ' ' TYR . 0.3 OUTLIER 178.2 -160.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.988 HG22 ' O ' ' A' ' 111' ' ' LYS . 1.7 p -147.46 -57.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.474 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -45.66 -24.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.597 ' HG2' ' CE1' ' A' ' 110' ' ' TYR . 14.8 tt0 -131.05 -2.4 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.597 ' CE1' ' HG2' ' A' ' 109' ' ' GLU . 4.7 m-85 -137.81 -168.1 2.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.988 ' O ' HG22 ' A' ' 107' ' ' THR . 0.6 OUTLIER -86.78 -93.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.547 ' N ' ' CG ' ' A' ' 111' ' ' LYS . 0.9 OUTLIER -179.87 79.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.532 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.652 ' O ' ' CB ' ' A' ' 105' ' ' ASP . . . -152.9 -174.57 4.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.733 ' HB3' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -170.34 163.1 8.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.551 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -94.25 130.6 40.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.593 HG13 ' CD2' ' A' ' 126' ' ' PHE . 1.0 OUTLIER -103.18 167.13 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 100' ' ' GLN . 38.6 mt -153.25 104.16 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.682 ' HB2' ' CG ' ' A' ' 95' ' ' PHE . 2.2 pp -111.1 163.59 13.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -49.34 -178.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.142 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.68 12.12 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 53.23 79.99 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.504 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -153.11 129.13 10.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.36 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.6 p -110.71 157.08 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.051 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.515 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.6 t -137.16 174.36 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.696 HG22 ' HB ' ' A' ' 53' ' ' VAL . 28.2 mt -135.51 78.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.23 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.615 ' CD1' ' CB ' ' A' ' 50' ' ' LEU . 3.2 m-85 -71.81 152.56 42.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -134.27 102.63 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.935 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.062 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -101.03 152.59 20.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 -9.86 12.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.5 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 0.2 OUTLIER -110.78 117.01 32.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -47.37 -34.45 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -70.44 -39.26 74.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.721 ' O ' ' N ' ' A' ' 137' ' ' TRP . 6.4 mm-40 -60.96 -46.13 91.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.562 ' HG3' ' CE2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -56.17 -44.44 79.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 1.2 t-20 -70.68 -42.63 70.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 0.7 OUTLIER -76.45 -16.82 59.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.062 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 36.6 m0 -80.61 -43.56 20.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 107.993 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -84.31 -35.74 23.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 111.019 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -64.45 -43.71 93.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.35 80.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.401 HD22 ' HB ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -72.05 -47.26 52.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.533 HG22 ' CE2' ' A' ' 146' ' ' TYR . 37.1 mm -65.76 -19.79 26.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -45.63 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.017 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.982 HD13 ' HB2' ' A' ' 96' ' ' MET . 53.3 mt -65.75 -59.15 4.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.448 ' CB ' ' H ' ' A' ' 99' ' ' VAL . 0.7 OUTLIER -50.35 -22.81 1.99 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.802 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -78.4 -36.22 46.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.53 51.0 1.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.02 29.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -177.52 -38.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.802 HD23 ' O ' ' A' ' 146' ' ' TYR . 1.6 pp -78.64 -1.79 35.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.526 0.203 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.488 ' O ' ' CG ' ' A' ' 26' ' ' GLN . 1.4 p30 -70.88 -62.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -54.94 -18.73 5.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.237 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.875 HD11 ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -83.36 -36.75 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.518 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -55.67 -25.85 41.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 0.0 OUTLIER -101.29 33.85 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.598 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 1.2 t-20 -164.72 23.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.84 HG22 ' HB3' ' A' ' 90' ' ' LEU . 1.7 pp -110.46 -126.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -172.82 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.522 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -86.97 -10.23 72.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.527 1.142 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.522 ' C ' ' O ' ' A' ' 31' ' ' GLY . 11.7 t-105 32.17 89.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 32' ' ' TRP . 3.0 mm-40 -33.92 152.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 35' ' ' LYS . . . -59.38 -140.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.588 ' O ' ' CB ' ' A' ' 36' ' ' ASP . 14.7 mmtt 78.9 -115.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 0.775 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.769 ' C ' HD12 ' A' ' 37' ' ' ILE . 9.4 m-20 149.01 42.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.769 HD12 ' C ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 40.8 90.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.64 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 135.99 -9.7 4.19 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.563 1.164 . . . . 0.0 110.981 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.51 ' CD ' ' N ' ' A' ' 39' ' ' GLN . 10.7 mp0 -101.07 -40.71 7.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.48 ' O ' ' SG ' ' A' ' 41' ' ' CYS . 50.0 t -145.41 17.16 1.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 108.296 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.68 ' O ' ' CB ' ' A' ' 42' ' ' ASN . 1.5 m -171.07 169.19 6.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.596 1.185 . . . . 0.0 108.29 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.68 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 6.7 t30 138.34 -4.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' A' ' 44' ' ' PHE . 2.1 mm-40 -117.82 40.69 3.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.645 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 6.0 p90 -26.01 113.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.571 HG12 ' N ' ' A' ' 65' ' ' ASP . 18.3 mm -56.93 -67.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.377 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 ptm -143.68 143.79 31.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -118.16 127.98 54.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.237 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -170.6 167.94 41.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.578 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -117.78 119.1 33.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.434 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.868 HD13 HG13 ' A' ' 61' ' ' ILE . 4.5 mp -111.64 137.92 48.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.438 HG22 ' HB2' ' A' ' 127' ' ' SER . 1.0 OUTLIER -85.49 140.08 30.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.2 OUTLIER -94.42 98.18 10.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.097 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.848 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.2 t -84.85 70.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.374 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.548 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -147.83 1.58 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 173.04 34.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.724 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.553 ' O ' ' CG ' ' A' ' 57' ' ' HIS . 0.2 OUTLIER 48.38 79.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 51.2 m-70 -163.39 146.71 10.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.557 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.93 173.82 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 71' ' ' CYS . 0.2 OUTLIER -163.04 143.66 9.39 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.578 ' HA ' HG23 ' A' ' 49' ' ' THR . 3.5 t-160 -89.4 100.73 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.587 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.868 HG13 HD13 ' A' ' 50' ' ' LEU . 23.5 mm -77.56 147.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.875 ' CD2' HD11 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -160.45 94.26 1.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.931 HD21 ' CD1' ' A' ' 144' ' ' LEU . 19.9 tp -80.76 115.29 20.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.771 ' CE2' HG21 ' A' ' 69' ' ' ILE . 15.8 m-30 -95.53 146.64 24.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.571 ' N ' HG12 ' A' ' 45' ' ' ILE . 14.8 t0 -57.98 -14.13 5.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.4 -39.55 4.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.756 HD22 ' CZ ' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -175.53 151.89 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.342 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.593 ' O ' HD12 ' A' ' 67' ' ' LEU . 20.7 ttt -82.45 140.78 33.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.771 HG21 ' CE2' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -142.86 150.49 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.66 ' SG ' HD12 ' A' ' 61' ' ' ILE . 50.4 m -138.84 123.75 18.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 108.25 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -96.94 140.84 30.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.507 ' CG ' ' HB2' ' A' ' 89' ' ' ARG . 4.3 ptmm? -88.3 133.46 34.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.377 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.579 ' HB3' ' CE2' ' A' ' 88' ' ' TYR . 12.5 p -134.21 124.59 26.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.01 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 76' ' ' GLY . 2.8 m120 -128.05 154.03 46.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 67.79 -71.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.653 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 74' ' ' ASN . . . 101.97 127.1 6.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.41 ' NE2' ' HD2' ' A' ' 78' ' ' PRO . 2.7 mm100 -113.71 164.48 15.82 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.41 ' HD2' ' NE2' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -75.06 -167.34 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.941 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 82' ' ' GLY . 3.0 mtt-85 64.88 24.05 12.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.6 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 27.5 mt -53.05 -46.28 97.75 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.5 Cg_endo -74.95 -0.97 10.59 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.444 1.76 . . . . 0.0 111.034 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' ARG . . . -156.11 57.82 0.38 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -40.53 156.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 0.732 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 88.6 p -160.96 46.56 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.075 . . . . 0.0 109.964 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.495 ' O ' ' O ' ' A' ' 27' ' ' LYS . 2.2 m-20 158.69 134.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.123 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.575 ' CB ' HD12 ' A' ' 29' ' ' ILE . . . -80.94 42.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 86' ' ' ALA . 15.7 mt-10 -33.28 -50.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.598 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 18.9 m-30 -64.0 -167.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.507 ' HB2' ' CG ' ' A' ' 72' ' ' LYS . 4.7 mtm180 -147.06 105.72 3.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.278 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.84 ' HB3' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -63.89 146.6 53.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -122.26 144.83 48.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.599 1.187 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 6.5 pt-20 -89.18 112.52 23.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.623 ' HB3' ' CD2' ' A' ' 95' ' ' PHE . 11.9 mttp -121.71 74.41 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.756 ' CZ ' HD22 ' A' ' 67' ' ' LEU . 55.0 m-85 -65.77 75.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 1.033 ' CE2' HD13 ' A' ' 118' ' ' LEU . 5.6 m-85 -135.01 1.16 2.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.456 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -56.52 -13.87 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 111.022 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.443 ' N ' ' SD ' ' A' ' 96' ' ' MET . 0.0 OUTLIER -97.79 -8.21 28.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.238 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -174.47 129.43 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.765 HG22 ' HB3' ' A' ' 145' ' ' GLN . 4.3 m -148.55 -178.81 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.4 mt-30 -164.93 80.79 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.595 HD11 ' CE2' ' A' ' 114' ' ' PHE . 0.2 OUTLIER -75.87 137.58 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 115' ' ' GLU . 2.2 t-20 -134.58 79.45 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.894 ' HA ' ' HB2' ' A' ' 114' ' ' PHE . 0.1 OUTLIER -61.6 83.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -94.25 86.07 4.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.344 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -148.33 164.52 33.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.843 ' O ' ' N ' ' A' ' 108' ' ' ASN . 0.1 OUTLIER -141.57 15.57 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.619 ' C ' ' O ' ' A' ' 106' ' ' ASP . 2.9 p 17.9 -73.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.442 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.843 ' N ' ' O ' ' A' ' 106' ' ' ASP . 2.9 m120 -33.05 -30.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.37 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.619 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.6 tt0 -114.14 -27.69 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.586 ' CD1' ' HB2' ' A' ' 106' ' ' ASP . 9.0 m-85 -109.77 -167.6 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.518 ' HG3' ' N ' ' A' ' 112' ' ' HIS . 0.1 OUTLIER -82.96 -90.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.518 ' N ' ' HG3' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -175.47 76.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.623 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.972 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -164.24 158.07 18.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.894 ' HB2' ' HA ' ' A' ' 103' ' ' ASP . 14.1 p90 -142.35 176.66 8.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 111.059 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 102' ' ' ASN . 0.4 OUTLIER -108.96 127.71 54.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.238 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.609 HD12 ' N ' ' A' ' 116' ' ' ILE . 3.6 mp -102.53 164.2 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.456 ' N ' HG22 ' A' ' 116' ' ' ILE . 48.1 mt -152.93 103.55 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.033 HD13 ' CE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -103.73 158.28 16.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -46.63 174.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.342 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 73.43 0.87 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.27 80.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -157.26 135.13 10.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.386 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 30.4 p -116.37 165.77 12.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.599 ' HB ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -143.22 178.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.814 HG21 ' O ' ' A' ' 53' ' ' VAL . 5.3 mp -138.83 82.91 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.703 ' CD2' HD22 ' A' ' 50' ' ' LEU . 5.8 m-30 -83.78 165.97 18.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.972 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 0.7 OUTLIER -145.1 100.26 3.45 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.191 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -98.53 141.97 30.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -6.1 13.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.526 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 1.4 m -107.68 112.43 25.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.17 -35.32 2.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -73.53 -45.28 54.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.728 ' O ' ' N ' ' A' ' 137' ' ' TRP . 10.0 mm-40 -59.2 -44.38 92.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 138' ' ' MET . 0.5 OUTLIER -56.93 -42.33 79.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.579 ' O ' ' HE2' ' A' ' 138' ' ' MET . 36.0 t-20 -75.36 -41.41 56.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.0 OUTLIER -76.98 -15.74 59.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.221 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.191 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 35.5 m0 -81.2 -40.48 23.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 108.053 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.579 ' HE2' ' O ' ' A' ' 135' ' ' ASN . 0.3 OUTLIER -89.32 -36.23 15.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 111.047 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -64.54 -46.05 84.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.53 -46.74 77.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.579 HD11 ' CE ' ' A' ' 68' ' ' MET . 1.5 mp -67.01 -43.27 83.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.661 HD13 ' HG2' ' A' ' 145' ' ' GLN . 2.9 mm -67.97 -18.16 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 139' ' ' ALA . 19.2 t -71.54 -41.17 69.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.931 ' CD1' HD21 ' A' ' 63' ' ' LEU . 18.4 mt -71.66 -62.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.765 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -49.48 -21.51 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.542 ' CE1' HG23 ' A' ' 142' ' ' ILE . 0.4 OUTLIER -70.14 -27.74 64.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.3 mtm-85 -93.32 17.84 10.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.35 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.91 30.23 4.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -174.74 -40.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.703 HD12 ' N ' ' A' ' 151' ' ' GLU . 0.9 OUTLIER -101.41 -160.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.703 ' N ' HD12 ' A' ' 150' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.675 ' N ' ' HB ' ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.53 0.205 . . . . 0.0 111.054 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.439 ' N ' ' CG ' ' A' ' 22' ' ' MET . 1.4 p30 -68.73 -58.62 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -67.89 -5.52 17.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.966 HD11 ' CG ' ' A' ' 62' ' ' PHE . 2.2 mt -106.22 -31.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.427 1.079 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' A' ' 22' ' ' MET . 1.1 mm-40 -66.68 -33.8 76.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' CE ' ' HB3' ' A' ' 26' ' ' GLN . 0.5 OUTLIER -102.95 57.69 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.651 ' ND2' ' CD2' ' A' ' 88' ' ' TYR . 1.1 t-20 -173.37 -38.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.078 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.6 pp -52.97 -156.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.533 ' HB3' HD12 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -136.65 -71.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.552 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -115.93 8.02 19.17 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.452 1.095 . . . . 0.0 111.063 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.552 ' C ' ' O ' ' A' ' 31' ' ' GLY . 8.9 t-105 30.96 84.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.21 154.76 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.681 ' C ' HD11 ' A' ' 37' ' ' ILE . . . 61.06 143.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -80.89 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 0.75 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -117.65 110.52 17.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.681 HD11 ' C ' ' A' ' 34' ' ' GLY . 3.2 mp -120.71 -25.77 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.73 -11.89 38.66 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.139 . . . . 0.0 111.079 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -102.32 -31.2 10.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 0.756 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 41' ' ' CYS . 2.3 p -93.36 -12.2 30.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 108.337 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.538 ' N ' ' O ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER 174.64 -150.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 108.289 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.561 ' OD1' ' CD1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER 63.91 38.99 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.491 ' O ' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -70.98 48.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER 28.6 92.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 63' ' ' LEU . 1.1 mm -74.85 -73.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.947 ' HG2' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -125.71 123.77 39.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 4.3 pm0 -110.74 113.12 25.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -168.98 165.46 38.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.452 1.095 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.401 ' O ' ' CZ2' ' A' ' 137' ' ' TRP . 0.2 OUTLIER -117.49 125.01 50.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.921 HD13 HG13 ' A' ' 61' ' ' ILE . 3.3 mp -114.9 145.0 42.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.733 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.6 OUTLIER -95.07 124.78 39.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.456 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -77.56 85.08 3.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.828 HG12 HG21 ' A' ' 125' ' ' ILE . 1.1 t -60.04 174.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.643 ' N ' HG13 ' A' ' 53' ' ' VAL . . . 84.0 -17.92 24.6 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . -145.66 15.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' ALA . 16.1 tttp 37.89 76.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 13.1 m-70 -147.84 151.24 35.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.561 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 6.6 tt0 -110.88 158.99 18.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.485 ' CG ' ' HA ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -160.74 123.33 3.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 102.65 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.136 . . . . 0.0 109.617 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.921 HG13 HD13 ' A' ' 50' ' ' LEU . 43.1 mm -79.41 144.9 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.966 ' CG ' HD11 ' A' ' 25' ' ' ILE . 12.3 m-85 -160.61 79.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.103 HD13 HD11 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -67.85 135.97 53.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.833 ' N ' HD12 ' A' ' 63' ' ' LEU . 17.2 m-85 -111.6 160.41 17.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.422 1.076 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -65.52 -9.75 28.93 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.414 1.071 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.37 -35.63 3.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 68' ' ' MET . 0.3 OUTLIER -177.41 148.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 0.813 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.745 ' HA ' ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -74.19 128.11 34.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 111.045 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 62' ' ' PHE . 1.1 tp -112.39 155.12 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 3.6 m -143.99 106.25 4.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 108.36 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 89' ' ' ARG . 5.2 m -83.07 123.55 29.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 88' ' ' TYR . 1.4 mttm -67.11 147.32 53.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 88' ' ' TYR . 17.4 t -151.1 104.9 3.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -131.71 120.51 22.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 63.19 109.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 77' ' ' GLN . . . 162.14 -173.96 38.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.544 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 158.92 -48.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 110.302 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -74.99 -171.95 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.063 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER 83.65 21.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.584 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -71.28 -47.5 13.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.06 0.65 8.67 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 84' ' ' SER . . . -117.97 62.01 0.43 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.69 82.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 0.1 OUTLIER 174.76 97.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 109.998 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 84' ' ' SER . 3.4 m-20 156.21 127.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.078 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . -94.04 41.76 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.234 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' ALA . 20.1 mt-10 -34.49 -44.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.651 ' CD2' ' ND2' ' A' ' 28' ' ' ASN . 11.9 m-30 -79.1 179.31 7.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 111.083 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 71' ' ' CYS . 15.3 ttp85 -136.26 116.68 13.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.701 HD22 ' C ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -58.92 143.66 47.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' CYS . 5.5 tttp -124.75 146.22 49.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.78 120.26 33.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 19.1 mttt -138.47 86.6 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -58.66 91.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.647 ' HE2' HD11 ' A' ' 141' ' ' LEU . 3.6 m-30 -105.44 -40.41 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.486 ' N ' HD13 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -45.88 -18.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.445 ' N ' ' C ' ' A' ' 95' ' ' PHE . 16.0 tpt180 -85.99 -53.11 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 99' ' ' VAL . 11.3 tptt -174.66 144.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.665 HG22 ' HB3' ' A' ' 145' ' ' GLN . 5.1 m -150.44 175.54 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.595 1.184 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 117' ' ' ILE . 1.3 mt-30 -158.65 101.33 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.198 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 138' ' ' MET . 0.2 OUTLIER -95.12 141.17 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.486 ' N ' HG13 ' A' ' 101' ' ' ILE . 1.6 m-80 -130.22 79.98 1.93 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.603 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 19.5 p-10 -61.33 80.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.1 OUTLIER -103.49 73.87 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 106' ' ' ASP . 0.4 OUTLIER -142.62 -161.42 1.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.138 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.669 ' C ' HG23 ' A' ' 107' ' ' THR . 3.1 p-10 165.68 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.669 HG23 ' C ' ' A' ' 106' ' ' ASP . 2.7 p 70.37 -5.17 1.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.433 1.083 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 106' ' ' ASP . 9.7 t-20 -62.4 -7.67 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -153.95 -22.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -110.02 -175.21 2.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.475 ' HE2' ' CE1' ' A' ' 112' ' ' HIS . 0.0 OUTLIER -70.53 -86.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.478 ' HA ' HG22 ' A' ' 107' ' ' THR . 0.5 OUTLIER -178.98 76.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.56 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 126' ' ' PHE . . . -156.6 158.22 36.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.603 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -128.12 178.24 6.35 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 111.092 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 115' ' ' GLU . 22.2 pt-20 -106.19 128.35 53.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.735 ' CD1' ' CD2' ' A' ' 126' ' ' PHE . 1.4 mp -106.94 166.07 4.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.586 HG22 ' O ' ' A' ' 117' ' ' ILE . 33.0 mt -147.81 78.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.346 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 95' ' ' PHE . 2.5 pp -79.71 176.57 9.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.481 ' O ' HD12 ' A' ' 118' ' ' LEU . 8.9 tptp -53.84 -170.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 52.69 19.47 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 43.91 65.46 1.02 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -132.83 136.56 46.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.5 OUTLIER -107.36 148.3 29.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.994 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -130.63 178.11 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.828 HG21 HG12 ' A' ' 53' ' ' VAL . 1.8 mp -141.32 85.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.735 ' CD2' ' CD1' ' A' ' 116' ' ' ILE . 3.9 m-85 -80.19 146.05 31.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.733 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -125.0 107.73 11.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.937 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.076 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -108.77 161.69 14.88 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -129.32 2.14 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 109.242 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.508 ' HB2' ' CG ' ' A' ' 133' ' ' GLU . 1.3 m -114.34 108.66 17.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.058 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 130' ' ' SER . . . -36.64 -39.17 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -71.18 -57.78 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.744 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 38.2 mm-40 -44.94 -40.45 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.263 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.914 ' HG2' ' HB3' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -62.1 -38.39 88.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.406 1.066 . . . . 0.0 109.38 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 30.8 t-20 -82.63 -37.79 24.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 140' ' ' ALA . 1.3 m-20 -75.19 -26.05 58.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.076 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 38.7 m0 -69.87 -48.55 58.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.564 1.165 . . . . 0.0 108.042 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.612 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -77.66 -48.89 15.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -53.15 -45.02 68.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 136' ' ' ASN . . . -58.53 -42.89 88.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.207 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.647 HD11 ' HE2' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -63.68 -46.63 84.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.491 HG12 ' CG2' ' A' ' 101' ' ' ILE . 3.5 mm -69.16 -16.68 21.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.3 t -68.45 -40.98 80.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.103 HD11 HD13 ' A' ' 63' ' ' LEU . 18.0 mt -70.05 -64.26 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.665 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -45.52 -23.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.908 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -68.42 -30.9 69.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -87.42 46.79 1.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 0.0 110.257 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.28 35.02 0.65 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.03 -37.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.372 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.908 HD23 ' O ' ' A' ' 146' ' ' TYR . 2.1 pp -75.16 -3.21 31.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.536 0.208 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.34 -48.19 68.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.78 -19.07 63.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.61 HG13 ' CE2' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -85.99 -38.47 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.616 ' HG2' ' CZ3' ' A' ' 32' ' ' TRP . 5.3 mt-30 -60.61 -34.44 74.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' O ' ' O ' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -94.41 32.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.65 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 1.7 m-80 -164.07 24.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 30' ' ' ASP . 1.8 pp -112.29 -127.61 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.599 1.187 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.944 ' HB3' HD12 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -164.29 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.538 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -106.59 5.92 38.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.616 ' CZ3' ' HG2' ' A' ' 26' ' ' GLN . 13.6 t-105 31.76 76.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' HG3' ' CG ' ' A' ' 92' ' ' GLU . 10.8 mm-40 -44.34 168.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.87 142.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.597 1.186 . . . . 0.0 110.968 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.12 21.67 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.793 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 40' ' ' CYS . 0.5 OUTLIER 176.37 -176.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.526 ' CG2' ' CZ2' ' A' ' 32' ' ' TRP . 0.6 OUTLIER -137.16 116.9 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.384 1.052 . . . . 0.0 109.334 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.3 -34.65 4.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -73.63 -42.33 61.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 41' ' ' CYS . 14.6 p -108.72 -27.63 9.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 108.311 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 42' ' ' ASN . 0.8 OUTLIER 160.29 -169.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 12.9 t-20 83.23 35.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 65' ' ' ASP . 15.4 mt-10 -61.26 -5.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.673 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 3.8 m-85 59.25 116.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.988 HD12 HD21 ' A' ' 144' ' ' LEU . 1.6 mt -105.83 -63.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.814 ' SD ' HD23 ' A' ' 63' ' ' LEU . 17.3 ptt? -125.56 132.92 52.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.588 ' HB3' ' CE1' ' A' ' 62' ' ' PHE . 2.1 pp20? -123.2 116.68 23.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -171.0 163.78 36.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.801 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -113.59 125.92 54.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 110.367 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.822 ' N ' HD12 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -120.82 156.95 30.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.59 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.7 OUTLIER -103.21 122.82 45.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.5 ttt-85 -78.86 92.72 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.54 ' CG1' ' N ' ' A' ' 54' ' ' GLY . 0.9 OUTLIER -62.28 167.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.54 ' N ' ' CG1' ' A' ' 53' ' ' VAL . . . 100.85 -18.32 55.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 56' ' ' LYS . . . -159.1 24.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 55' ' ' ALA . 3.9 pttp 36.78 77.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -137.36 146.03 44.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.621 1.201 . . . . 0.0 109.635 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 73' ' ' SER . 12.4 tt0 -112.7 154.52 26.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HB3' ' HA ' ' A' ' 72' ' ' LYS . 11.1 ptp180 -163.94 128.46 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.409 ' CD2' ' HB ' ' A' ' 49' ' ' THR . 0.1 OUTLIER -72.91 96.03 2.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.629 1.205 . . . . 0.0 109.643 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.793 ' CG1' HD13 ' A' ' 50' ' ' LEU . 38.6 mm -69.05 152.47 9.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.673 ' CE1' ' CD1' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -170.59 89.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 111.081 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.13 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.2 OUTLIER -75.02 123.33 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.625 ' CE2' HG21 ' A' ' 69' ' ' ILE . 9.9 m-30 -98.31 148.21 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.952 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 43' ' ' GLU . 6.7 t0 -57.08 -12.69 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.703 ' O ' HD23 ' A' ' 67' ' ' LEU . . . -95.32 -41.73 3.89 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.96 HD13 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -175.84 150.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.356 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 93' ' ' LYS . 0.6 OUTLIER -67.64 134.19 50.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.814 HD13 ' N ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -137.69 133.44 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.814 ' N ' HD13 ' A' ' 69' ' ' ILE . 31.0 p -125.53 130.56 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.316 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 10.9 m -93.77 114.75 27.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -66.29 128.71 37.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.376 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.615 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 16.8 t -126.58 139.93 52.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -163.67 37.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -159.87 -88.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.588 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.604 ' O ' ' CE1' ' A' ' 88' ' ' TYR . . . -165.26 -178.42 38.43 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 77' ' ' GLN . 1.4 pt20 -135.02 78.09 54.46 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.428 ' CG ' ' OE2' ' A' ' 87' ' ' GLU . 18.1 Cg_endo -74.97 144.04 29.87 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.9 ttp85 -157.67 16.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.638 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 7.7 mt -66.72 -44.43 53.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -74.98 -2.18 12.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 81' ' ' PRO . . . 34.14 85.54 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 84' ' ' SER . . . 179.67 173.76 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 49.0 m -37.83 142.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.959 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 84' ' ' SER . 2.5 m-20 156.18 86.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 88' ' ' TYR . . . -103.06 54.24 0.76 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.504 ' C ' ' O ' ' A' ' 86' ' ' ALA . 32.5 mt-10 -30.47 -57.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.65 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 11.2 m-30 -64.86 -168.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.46 ' HB3' ' CG ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -146.96 115.98 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.07 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -59.3 153.86 17.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -138.07 109.91 7.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 94' ' ' PHE . 1.3 mt-10 -69.04 130.47 42.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 95' ' ' PHE . 0.1 OUTLIER -134.03 76.65 1.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.96 ' CD1' HD13 ' A' ' 67' ' ' LEU . 2.0 m-85 -71.6 71.0 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.685 ' HD2' HD22 ' A' ' 118' ' ' LEU . 2.0 m-85 -138.6 -2.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.81 ' HB2' HD13 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -46.85 -40.82 14.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.444 ' N ' ' HG2' ' A' ' 96' ' ' MET . 46.4 ttt180 -64.27 -4.24 3.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' HG3' ' CB ' ' A' ' 119' ' ' LYS . 0.0 OUTLIER -171.19 101.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 95' ' ' PHE . 1.2 m -136.84 170.04 18.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 117' ' ' ILE . 0.9 OUTLIER -151.86 122.51 7.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.553 HD12 ' CG1' ' A' ' 116' ' ' ILE . 0.1 OUTLIER -116.26 138.52 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.524 ' O ' ' N ' ' A' ' 115' ' ' GLU . 1.1 m120 -137.79 111.12 7.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.569 1.168 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.8 p-10 -79.38 93.59 5.37 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.21 88.45 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.496 ' HB2' ' O ' ' A' ' 113' ' ' ALA . 0.9 OUTLIER -172.61 -149.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.517 ' C ' HG23 ' A' ' 107' ' ' THR . 1.3 t0 -158.09 -160.57 0.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.649 ' CG2' ' CG ' ' A' ' 112' ' ' HIS . 45.4 p -156.94 -144.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.582 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 0.7 OUTLIER 38.62 29.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.582 ' CB ' ' O ' ' A' ' 108' ' ' ASN . 4.6 tt0 153.55 -25.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.184 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -105.24 -174.61 2.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.7 ' O ' ' N ' ' A' ' 113' ' ' ALA . 0.1 OUTLIER -111.53 102.44 10.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.649 ' CG ' ' CG2' ' A' ' 107' ' ' THR . 0.2 OUTLIER -51.09 75.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.623 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.932 ' HB1' HG22 ' A' ' 125' ' ' ILE . . . -104.74 143.52 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.648 ' CD1' ' N ' ' A' ' 114' ' ' PHE . 0.0 OUTLIER -117.04 132.89 56.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.055 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.587 ' HA ' HD13 ' A' ' 125' ' ' ILE . 1.2 pt-20 -79.65 90.65 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.699 ' CD1' ' CD2' ' A' ' 126' ' ' PHE . 2.6 mp -77.73 158.55 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.582 ' HA ' ' O ' ' A' ' 122' ' ' ASN . 26.3 mt -155.15 104.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.691 HD12 ' HB3' ' A' ' 122' ' ' ASN . 0.0 OUTLIER -80.85 142.24 33.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.468 ' CB ' ' HG3' ' A' ' 98' ' ' LYS . 1.4 tmtt? -41.39 -28.84 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.646 ' CG ' ' CE1' ' A' ' 95' ' ' PHE . 8.1 t0 -51.21 -17.9 0.79 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.574 ' CB ' ' O ' ' A' ' 120' ' ' ASP . 0.7 OUTLIER 92.27 16.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.691 ' HB3' HD12 ' A' ' 118' ' ' LEU . 25.0 t30 -102.69 167.47 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.609 1.193 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.44 ' C ' ' CG2' ' A' ' 124' ' ' VAL . 2.5 p -132.96 162.75 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.865 ' O ' HD13 ' A' ' 125' ' ' ILE . 0.1 OUTLIER -153.64 174.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.932 HG22 ' HB1' ' A' ' 113' ' ' ALA . 3.7 mm -143.59 82.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.699 ' CD2' ' CD1' ' A' ' 116' ' ' ILE . 22.3 m-30 -78.96 113.73 17.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.59 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.2 OUTLIER -97.26 111.14 23.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.993 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.144 ' HB2' ' CE3' ' A' ' 137' ' ' TRP . . . -100.61 166.96 10.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.611 1.195 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -128.28 0.44 5.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.532 ' HB3' ' CG ' ' A' ' 133' ' ' GLU . 4.4 t -118.92 118.02 30.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.387 1.054 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.429 ' O ' ' HG3' ' A' ' 134' ' ' LYS . . . -48.3 -33.5 8.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.1 OUTLIER -74.08 -45.15 51.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.242 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.691 ' O ' ' N ' ' A' ' 137' ' ' TRP . 9.4 mm-40 -62.15 -41.21 98.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -59.16 -38.37 79.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 5.8 t30 -80.24 -40.49 26.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.2 m-20 -77.13 -16.72 59.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.144 ' CE3' ' HB2' ' A' ' 128' ' ' ALA . 32.8 m0 -79.74 -44.62 20.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.538 ' HA ' HD13 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -82.92 -43.04 16.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 111.094 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -57.52 -46.84 83.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.456 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -55.3 -45.66 76.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.463 HD22 HG23 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -64.96 -49.99 68.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.443 ' O ' ' CD2' ' A' ' 146' ' ' TYR . 1.1 mm -66.52 -17.31 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -68.18 -40.56 82.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.13 HD11 ' CD1' ' A' ' 63' ' ' LEU . 89.5 mt -71.42 -60.41 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -47.9 -22.61 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.544 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -73.51 -25.56 60.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 144' ' ' LEU . 1.4 ttt85 -84.19 8.86 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.83 31.47 2.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.022 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -38.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 110.404 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.63 HD12 ' N ' ' A' ' 151' ' ' GLU . 0.9 OUTLIER -105.73 -158.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.63 ' N ' HD12 ' A' ' 150' ' ' LEU . 1.5 mt-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 27.8 mmm . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.494 0.188 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.417 ' ND2' ' H ' ' A' ' 24' ' ' GLU . 1.4 p-10 -70.58 -62.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -56.37 -19.02 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.221 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -80.83 -37.42 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.239 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.476 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 3.7 mt-30 -57.77 -17.95 18.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' C ' ' HA ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -89.55 11.14 20.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.387 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.69 ' ND2' ' CE2' ' A' ' 88' ' ' TYR . 1.0 OUTLIER -128.4 -30.48 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.081 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.7 pp -56.08 -149.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.584 ' N ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -149.77 -68.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 32' ' ' TRP . . . -118.24 12.31 12.72 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.638 ' C ' ' O ' ' A' ' 31' ' ' GLY . 41.1 t-105 21.04 -95.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 31' ' ' GLY . 0.9 OUTLIER 178.13 -148.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' O ' ' OD1' ' A' ' 36' ' ' ASP . . . -53.64 -166.42 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.475 ' HG3' HD11 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -68.5 -8.44 41.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.597 ' OD1' ' CD1' ' A' ' 32' ' ' TRP . 0.0 OUTLIER 60.99 133.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.771 HG22 ' O ' ' A' ' 37' ' ' ILE . 4.2 mp -143.68 39.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.411 ' HA2' ' ND2' ' A' ' 42' ' ' ASN . . . 42.04 36.05 1.83 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -106.92 -25.67 11.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' C ' ' HA3' ' A' ' 66' ' ' GLY . 1.6 m -142.16 31.91 1.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.5 p 167.54 92.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 108.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.411 ' ND2' ' HA2' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -166.21 29.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 45' ' ' ILE . 2.9 tp10 -171.54 75.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.611 ' O ' ' CD2' ' A' ' 44' ' ' PHE . 32.3 p90 -45.95 94.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.69 HD11 ' OD1' ' A' ' 65' ' ' ASP . 4.1 mm -40.86 -56.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.641 ' CE ' HD23 ' A' ' 63' ' ' LEU . 2.3 ptt? -133.98 148.72 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.15 113.73 16.76 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 61' ' ' ILE . . . -165.35 163.54 36.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.471 1.107 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.698 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -112.75 130.88 55.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 0.743 . . . . 0.0 110.381 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.825 HD23 ' CE3' ' A' ' 137' ' ' TRP . 0.9 OUTLIER -127.61 160.95 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.517 HG22 ' HB2' ' A' ' 127' ' ' SER . 0.8 OUTLIER -115.65 125.51 52.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 110.389 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 125' ' ' ILE . 0.2 OUTLIER -83.16 104.06 13.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.802 HG12 ' O ' ' A' ' 53' ' ' VAL . 2.6 t -83.87 72.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.674 ' O ' ' HB2' ' A' ' 55' ' ' ALA . . . -151.59 9.53 0.67 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 54' ' ' GLY . . . 164.61 39.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 0.776 . . . . 0.0 109.253 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 45.96 75.83 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.536 ' CD2' ' HD2' ' A' ' 72' ' ' LYS . 5.6 m-70 -133.07 135.45 45.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.609 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -143.73 138.22 28.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.259 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.752 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -175.86 -174.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.693 ' O ' HD13 ' A' ' 61' ' ' ILE . 6.7 m-70 -91.93 151.42 20.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.567 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.818 HD12 ' CB ' ' A' ' 70' ' ' CYS . 37.5 mm -126.26 128.31 71.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.448 ' O ' ' O ' ' A' ' 69' ' ' ILE . 3.6 m-85 -131.96 111.89 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.043 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.1 OUTLIER -96.9 117.59 31.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.678 ' CE2' HG21 ' A' ' 69' ' ' ILE . 15.5 m-30 -87.3 150.46 23.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.69 ' OD1' HD11 ' A' ' 45' ' ' ILE . 2.2 t0 -67.41 0.75 2.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 64' ' ' PHE . . . -111.17 -31.98 2.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.691 HD13 ' CA ' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -172.13 138.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 109.252 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.617 ' N ' HD12 ' A' ' 67' ' ' LEU . 2.2 ttp -76.77 121.19 22.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.831 HG13 HD23 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -126.56 145.72 33.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.818 ' CB ' HD12 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -136.61 126.56 25.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 108.257 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.752 ' O ' ' HB3' ' A' ' 59' ' ' ARG . 6.0 p -100.51 102.98 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 108.271 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HA ' ' CB ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -93.32 150.53 20.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.087 . . . . 0.0 109.233 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.637 ' HB2' ' CD1' ' A' ' 88' ' ' TYR . 7.1 t -146.89 165.71 28.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 75' ' ' HIS . 4.1 t-20 -115.44 32.29 6.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.433 ' C ' ' O ' ' A' ' 74' ' ' ASN . 5.3 t60 36.83 70.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.603 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.402 ' HA3' ' NH1' ' A' ' 79' ' ' ARG . . . -84.23 114.45 3.91 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.515 1.134 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -42.81 -53.09 10.41 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 110.324 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -75.01 -165.47 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.565 1.824 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HG2' ' CB ' ' A' ' 83' ' ' ALA . 0.1 OUTLIER 70.47 18.41 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.587 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -57.43 -47.09 99.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.2 Cg_endo -74.98 0.54 8.78 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.579 1.831 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.2 94.31 1.29 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 79' ' ' ARG . . . -75.3 81.84 2.41 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.534 0.785 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.469 ' O ' ' OD1' ' A' ' 85' ' ' ASN . 0.2 OUTLIER 81.15 13.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.107 . . . . 0.0 109.978 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.696 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 0.1 OUTLIER 60.82 140.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.579 1.174 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.081 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 84.19 50.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' ALA . 15.9 mt-10 -35.67 -54.54 0.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.348 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.69 ' CE2' ' ND2' ' A' ' 28' ' ' ASN . 0.8 OUTLIER -78.05 -175.73 4.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -130.21 110.45 11.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.062 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -66.34 142.92 57.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.779 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -120.02 99.57 6.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -60.29 99.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.279 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.514 ' C ' ' CD1' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -106.0 78.97 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.691 ' CA ' HD13 ' A' ' 67' ' ' LEU . 3.4 p90 -78.6 70.64 4.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.901 ' CD2' HD13 ' A' ' 118' ' ' LEU . 4.3 m-85 -137.87 -6.85 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.978 ' CB ' HD13 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -43.83 -42.43 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.938 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.21 -16.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' N ' ' C ' ' A' ' 96' ' ' MET . 0.3 OUTLIER -171.99 99.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.775 HG21 ' HG ' ' A' ' 141' ' ' LEU . 1.9 m -122.82 -178.78 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.457 ' O ' ' O ' ' A' ' 117' ' ' ILE . 1.0 OUTLIER -162.74 100.48 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.215 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.979 HD12 HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -88.61 139.42 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 104' ' ' LYS . 12.1 t30 -123.7 79.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.622 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 21.0 p-10 -62.43 79.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -83.26 76.96 9.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.24 166.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.755 ' O ' ' N ' ' A' ' 108' ' ' ASN . 1.3 m-20 -178.12 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.643 ' C ' ' O ' ' A' ' 106' ' ' ASP . 0.1 OUTLIER 15.32 -77.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 110.395 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.755 ' N ' ' O ' ' A' ' 106' ' ' ASP . 13.4 m-80 -32.25 -32.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 107' ' ' THR . 1.9 tt0 -114.98 -26.16 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.207 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.608 ' CD2' ' HB2' ' A' ' 106' ' ' ASP . 8.8 m-30 -108.76 -168.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 107' ' ' THR . 0.0 OUTLIER -89.67 -80.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.243 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -175.69 79.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.55 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.921 ' HB2' ' OG ' ' A' ' 127' ' ' SER . . . -169.21 167.31 10.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.622 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -137.12 169.97 16.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.24 124.94 43.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.979 HD12 HD12 ' A' ' 101' ' ' ILE . 2.7 mm -99.56 163.99 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.457 ' O ' ' O ' ' A' ' 100' ' ' GLN . 30.5 mt -151.41 94.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.901 HD13 ' CD2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -103.28 164.63 11.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' O ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -47.92 178.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.527 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 28.0 t0 66.64 8.93 6.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 52.87 74.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -149.96 122.26 8.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 71.4 p -100.38 150.28 22.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.428 ' C ' HG13 ' A' ' 125' ' ' ILE . 0.9 OUTLIER -125.86 172.32 13.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.398 1.061 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.685 HG22 ' HB ' ' A' ' 53' ' ' VAL . 3.2 mt -135.65 80.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.458 ' CD2' HG13 ' A' ' 116' ' ' ILE . 4.1 m-85 -79.67 133.46 36.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.082 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.921 ' OG ' ' HB2' ' A' ' 113' ' ' ALA . 35.8 m -111.67 110.76 21.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.966 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.188 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -116.26 146.21 42.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -111.07 -9.94 14.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.82 110.47 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -44.8 -35.7 2.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.191 . . . . 0.0 109.342 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -69.34 -45.55 69.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.262 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.718 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 0.4 OUTLIER -61.47 -39.3 90.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 138' ' ' MET . 7.7 ttpt -59.76 -36.97 77.75 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.522 1.139 . . . . 0.0 109.213 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 50.2 t-20 -84.77 -37.5 20.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 132' ' ' GLU . 1.3 m-20 -75.61 -24.8 56.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.197 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.188 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 42.3 m0 -72.22 -48.94 39.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.005 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 134' ' ' LYS . 0.4 OUTLIER -76.1 -49.21 18.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 135' ' ' ASN . . . -49.66 -43.59 47.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.486 ' CB ' ' SD ' ' A' ' 46' ' ' MET . . . -60.68 -42.54 97.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.775 ' HG ' HG21 ' A' ' 99' ' ' VAL . 0.2 OUTLIER -66.19 -48.48 70.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.429 HG12 ' CG2' ' A' ' 101' ' ' ILE . 5.5 mm -64.55 -20.43 27.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.52 -36.81 76.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.043 HD11 ' CD1' ' A' ' 63' ' ' LEU . 62.0 mt -70.28 -61.09 1.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -49.6 -22.18 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.216 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.608 ' O ' HD23 ' A' ' 150' ' ' LEU . 0.1 OUTLIER -74.75 -26.96 60.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.94 36.51 0.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.04 28.76 8.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.67 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.162 . . . . 0.0 110.435 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 151' ' ' GLU . 0.9 OUTLIER -91.75 -159.79 0.68 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.352 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.648 ' N ' HD12 ' A' ' 150' ' ' LEU . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.251 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.422 ' CE ' ' OD1' ' A' ' 23' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.493 0.187 . . . . 0.0 111.032 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.422 ' OD1' ' CE ' ' A' ' 22' ' ' MET . 2.0 p-10 -68.87 -58.47 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.6 1.187 . . . . 0.0 109.223 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -17.26 29.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.271 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.763 HG23 HG23 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -90.22 -39.03 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HA ' ' CG1' ' A' ' 29' ' ' ILE . 1.3 mm-40 -42.81 -29.54 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.53 53.46 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.639 ' OD1' ' CD2' ' A' ' 88' ' ' TYR . 2.9 t-20 -176.13 -36.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.051 ' O ' ' HB1' ' A' ' 86' ' ' ALA . 2.2 pp -59.63 -151.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.416 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -144.08 -74.44 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -111.22 14.38 28.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.491 ' C ' ' O ' ' A' ' 31' ' ' GLY . 47.8 t-105 35.74 -94.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' A' ' 31' ' ' GLY . 1.1 tt0 -173.94 -140.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.251 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.6 29.99 2.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 33' ' ' GLU . 8.3 mptt 61.27 22.49 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 0.794 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -135.46 177.61 7.69 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.483 HD13 ' N ' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -116.9 59.02 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 41' ' ' CYS . . . 71.52 -1.66 27.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.632 ' O ' ' HB2' ' A' ' 40' ' ' CYS . 29.9 mt-30 77.8 -0.78 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 0.79 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.632 ' HB2' ' O ' ' A' ' 39' ' ' GLN . 40.8 t 161.27 36.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 108.309 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 42' ' ' ASN . 30.0 p -179.76 119.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 108.324 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER 150.15 34.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 64' ' ' PHE . 0.3 OUTLIER -73.78 -145.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.616 ' CD1' ' C ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -134.33 95.32 3.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.065 HD12 HD21 ' A' ' 144' ' ' LEU . 3.0 mt -75.51 -67.01 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.789 ' HG3' HG22 ' A' ' 45' ' ' ILE . 3.1 mtt -139.06 130.11 26.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 62' ' ' PHE . 11.5 pt-20 -109.45 137.5 47.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -171.92 162.21 34.39 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.419 1.074 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.565 HG23 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -112.22 112.91 24.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.847 HD22 ' CD2' ' A' ' 126' ' ' PHE . 4.1 mp -110.4 136.36 49.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 127' ' ' SER . 0.9 OUTLIER -90.39 130.92 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.439 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.527 ' HG2' HG12 ' A' ' 124' ' ' VAL . 0.1 OUTLIER -86.23 80.71 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.887 HG12 HG21 ' A' ' 125' ' ' ILE . 1.0 OUTLIER -62.19 173.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.741 ' O ' ' HB3' ' A' ' 55' ' ' ALA . . . 104.15 10.25 34.71 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 54' ' ' GLY . . . 89.27 47.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.24 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HB3' ' O ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -121.94 -105.4 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' A' ' 74' ' ' ASN . 0.2 OUTLIER -174.86 -175.89 0.94 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 6.8 mt-10 -85.16 164.76 17.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 110.24 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 71' ' ' CYS . 5.9 mtp180 -158.25 132.53 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.339 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.565 ' HA ' HG23 ' A' ' 49' ' ' THR . 3.0 t60 -85.36 92.42 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.76 ' CG1' HD13 ' A' ' 50' ' ' LEU . 39.5 mm -67.74 157.24 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.618 ' CD2' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -170.04 84.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.987 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.141 ' CD1' HD11 ' A' ' 144' ' ' LEU . 0.0 OUTLIER -70.48 123.56 22.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.633 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 14.4 m-30 -100.52 153.14 19.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.487 ' N ' HG13 ' A' ' 45' ' ' ILE . 13.0 t0 -67.59 56.92 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.621 ' O ' ' HG ' ' A' ' 67' ' ' LEU . . . 173.51 -41.24 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.49 1.118 . . . . 0.0 110.96 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 66' ' ' GLY . 66.4 mt -164.19 128.76 2.72 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.43 0.724 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.664 ' SD ' ' CE2' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -88.2 141.1 28.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.954 HD13 ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -130.89 157.89 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.0 p -128.07 128.79 45.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 108.326 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 2.5 m -90.13 125.64 35.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.335 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.444 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . 4.2 tttp -71.57 103.81 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.585 ' HA ' ' CD1' ' A' ' 88' ' ' TYR . 58.1 m -110.18 107.96 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.98 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.486 ' HA ' ' CD2' ' A' ' 57' ' ' HIS . 0.6 OUTLIER -122.49 -152.8 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.326 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -127.22 113.88 16.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.564 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 168.27 -165.41 38.77 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 28.7 pt20 -121.77 133.76 24.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.558 0.799 . . . . 0.0 110.295 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.424 ' O ' ' CB ' ' A' ' 79' ' ' ARG . 18.3 Cg_endo -75.01 -170.24 0.75 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.512 1.796 . . . . 0.0 110.96 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 83' ' ' ALA . 0.0 OUTLIER 79.67 15.72 0.88 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.582 ' N ' ' CD ' ' A' ' 81' ' ' PRO . 1.3 mt -79.26 -47.15 1.61 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 80' ' ' LEU . 18.3 Cg_endo -75.06 -0.59 10.17 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.08 75.09 1.28 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.423 1.077 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.485 ' O ' ' CG ' ' A' ' 79' ' ' ARG . . . -169.64 -160.05 0.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.537 0.787 . . . . 0.0 109.323 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' ' 85' ' ' ASN . 5.4 t -170.76 80.23 0.08 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.662 ' O ' ' HB3' ' A' ' 86' ' ' ALA . 6.4 m-20 153.52 146.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.219 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.051 ' HB1' ' O ' ' A' ' 29' ' ' ILE . . . 81.3 51.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 86' ' ' ALA . 19.7 mt-10 -34.48 -50.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.639 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 14.0 m-30 -88.71 -177.26 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -131.73 110.73 11.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.037 HD13 ' O ' ' A' ' 90' ' ' LEU . 0.0 OUTLIER -66.46 148.7 51.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.718 ' N ' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -137.3 126.65 24.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 109.256 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.32 128.13 35.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.1 mptp? -138.32 88.37 2.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.565 ' HA ' HD22 ' A' ' 67' ' ' LEU . 65.0 m-85 -58.77 90.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.82 ' CE2' HD11 ' A' ' 141' ' ' LEU . 3.3 m-85 -104.2 -50.36 3.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.704 ' CA ' HD13 ' A' ' 144' ' ' LEU . 0.4 OUTLIER -43.12 -21.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -82.33 -52.42 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.467 ' C ' HG13 ' A' ' 99' ' ' VAL . 8.1 tttp -173.94 148.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.645 HG22 ' HB3' ' A' ' 145' ' ' GLN . 11.4 m -154.79 -177.8 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.513 ' N ' ' O ' ' A' ' 117' ' ' ILE . 1.8 mt-30 -165.74 102.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 1.047 HD12 HD12 ' A' ' 116' ' ' ILE . 0.6 OUTLIER -90.06 106.75 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.175 . . . . 0.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.33 88.18 3.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.617 ' HA ' ' CB ' ' A' ' 114' ' ' PHE . 13.1 p-10 -69.46 95.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 109.216 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.05 80.44 1.95 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.228 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.688 ' CB ' ' O ' ' A' ' 113' ' ' ALA . 2.0 t70 -158.63 -148.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 107' ' ' THR . 1.5 t0 -172.62 -157.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 106' ' ' ASP . 17.3 p -158.49 -60.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -44.96 -23.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 109.254 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.56 ' HG2' ' CE1' ' A' ' 110' ' ' TYR . 33.7 tt0 -128.68 -10.14 5.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CE1' ' HG2' ' A' ' 109' ' ' GLU . 2.5 m-85 -129.01 -170.29 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 111.051 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.601 ' HG3' ' CD2' ' A' ' 112' ' ' HIS . 4.1 tttt -80.3 -96.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.601 ' CD2' ' HG3' ' A' ' 111' ' ' LYS . 24.3 p80 178.44 78.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.384 1.053 . . . . 0.0 109.617 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.688 ' O ' ' CB ' ' A' ' 105' ' ' ASP . . . -153.39 -172.58 4.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.617 ' CB ' ' HA ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -170.63 166.61 8.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.885 ' C ' HD13 ' A' ' 116' ' ' ILE . 0.4 OUTLIER -85.63 120.27 26.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 1.047 HD12 HD12 ' A' ' 101' ' ' ILE . 1.3 mm -107.23 124.54 63.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.233 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 100' ' ' GLN . 21.6 mt -111.46 128.51 67.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.593 HD22 ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -115.58 140.14 49.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.508 ' C ' ' H ' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -44.13 -25.56 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.454 ' N ' ' C ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -57.02 -7.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 73.01 42.95 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.417 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -141.01 142.09 34.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -108.53 151.8 25.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 125' ' ' ILE . 1.5 t -140.29 175.08 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.887 HG21 HG12 ' A' ' 53' ' ' VAL . 8.3 mt -130.63 80.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PHE . . . . . 0.847 ' CD2' HD22 ' A' ' 50' ' ' LEU . 10.2 m-30 -74.43 132.56 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.518 ' HA ' ' HA ' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -113.82 109.36 18.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.559 1.162 . . . . 0.0 109.954 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.102 ' HB2' ' CZ3' ' A' ' 137' ' ' TRP . . . -107.5 132.11 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.02 -4.09 23.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 133' ' ' GLU . 0.4 OUTLIER -108.75 108.77 19.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.033 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -42.9 -38.85 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' ASN . 0.0 OUTLIER -68.27 -42.59 79.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.722 ' O ' ' CG ' ' A' ' 137' ' ' TRP . 13.2 mt-10 -61.84 -40.22 94.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' ' 138' ' ' MET . 5.6 ttpt -61.18 -34.67 75.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 138' ' ' MET . 5.2 t-20 -85.07 -36.16 21.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 0.9 OUTLIER -79.74 -23.16 42.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 1.102 ' CZ3' ' HB2' ' A' ' 128' ' ' ALA . 41.2 m0 -73.18 -50.01 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.003 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . 0.483 ' HA ' HG21 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -68.12 -54.31 18.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 143' ' ' SER . . . -51.62 -43.23 62.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 136' ' ' ASN . . . -61.24 -38.7 87.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.82 HD11 ' CE2' ' A' ' 95' ' ' PHE . 0.5 OUTLIER -71.66 -52.91 15.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.263 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.51 ' CG2' ' CE1' ' A' ' 146' ' ' TYR . 10.9 mm -68.02 -15.04 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.578 1.173 . . . . 0.0 109.343 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 139' ' ' ALA . 9.3 t -69.31 -45.42 69.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 1.141 HD11 ' CD1' ' A' ' 63' ' ' LEU . 24.8 mt -70.19 -63.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.645 ' HB3' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -45.7 -24.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 150' ' ' LEU . 0.5 OUTLIER -72.09 -27.79 62.89 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -94.62 35.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 1.3 t -113.99 27.96 9.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.091 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -172.26 -43.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 1.8 pp -88.67 -0.6 57.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.987 . . . . . . . . 0 0 . 1 stop_ save_