data_2hgf_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 2hgf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.554 -1.418 . . . . 12.42 109.554 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 6.7 tt0 -177.54 77.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -1.142 . . . . 12.07 110.177 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.533 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -49.89 -35.1 22.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.203 -0.936 . . . . 11.92 110.162 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.532 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER 38.86 -92.01 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.495 -0.753 . . . . 9.0700000000000003 111.098 179.683 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.18 -22.74 44.54 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.22 -0.925 . . . . 8.8800000000000008 111.026 -179.317 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' CB ' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -42.37 -57.72 2.48 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.095 -1.003 . . . . 7.3899999999999997 110.202 -179.695 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -51.35 126.33 16.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 3.5499999999999998 109.998 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.526 ' CG2' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -109.01 2.4 21.25 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.31 -0.869 . . . . 2.0899999999999999 110.573 -179.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.636 ' CD1' ' CE1' ' A' ' 119' ' ' TYR . 3.7 tt -55.15 -15.61 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.451 -0.781 . . . . 1.47 110.74 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -80.0 7.48 8.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.056 -1.027 . . . . 3.6400000000000001 110.568 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 38' ' ' THR . 12.0 mt-10 -115.77 -5.69 12.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 1.22 109.356 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.624 ' CZ ' ' ND2' ' A' ' 121' ' ' ASN . 46.3 m-85 -95.81 159.92 14.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.512 -0.742 . . . . 0.88 110.733 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.582 ' CG ' ' CE ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -78.25 113.22 16.01 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.912 -1.144 . . . . 2.3100000000000001 107.912 178.228 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.587 ' HD2' ' CE1' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -85.29 121.22 27.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.556 -0.715 . . . . 1.9299999999999999 111.97 -177.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.538 ' CB ' ' HB3' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -141.85 84.04 1.87 Allowed 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 109.129 -0.693 . . . . 1.1200000000000001 109.129 178.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 117' ' ' ASP . . . -63.85 162.93 12.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.162 -0.961 . . . . 1.0600000000000001 110.418 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.599 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 61.44 23.2 13.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.088 -1.008 . . . . 1.72 109.053 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 45' ' ' SER . 17.9 m -149.83 132.18 15.58 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.482 0.658 . . . . 1.0900000000000001 111.011 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.547 ' CG2' ' HB3' ' A' ' 111' ' ' GLU . 5.0 t -134.82 -172.22 2.98 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.527 -0.916 . . . . 1.0700000000000001 108.527 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.541 ' HG ' ' HA ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -138.65 165.31 27.26 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.629 -1.295 . . . . 1.2 111.428 -179.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.556 ' CD1' ' HG3' ' A' ' 111' ' ' GLU . 0.5 OUTLIER -122.26 -145.81 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.503 -0.748 . . . . 1.48 109.733 179.483 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' N ' ' CE ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -169.54 138.6 1.95 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.357 -0.84 . . . . 2.4399999999999999 109.94 179.067 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.458 HD12 ' HD2' ' A' ' 109' ' ' LYS . 4.0 mt -136.88 -8.32 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.913 -1.117 . . . . 1.1599999999999999 111.119 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 107' ' ' GLY . 0.6 OUTLIER -83.43 150.55 60.49 Favored Pre-proline 0 C--N 1.296 -1.733 0 O-C-N 121.4 -0.813 . . . . 1.29 110.044 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -62.18 -35.4 75.07 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 O-C-N 123.797 1.419 . . . . 0.91000000000000003 110.987 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.05 40.25 1.26 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.235 -0.915 . . . . 1.1699999999999999 110.592 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.639 ' CD2' ' CD2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -140.91 113.29 8.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.096 -1.003 . . . . 1.3300000000000001 110.538 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.576 ' O ' ' CD ' ' A' ' 100' ' ' PRO . 19.2 mmtt -125.56 -154.76 0.64 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.605 -0.685 . . . . 2.4500000000000002 109.577 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.598 HG22 ' CE1' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -156.87 -168.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.968 -1.083 . . . . 1.1100000000000001 109.986 179.137 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HE3' ' CD1' ' A' ' 80' ' ' LEU . 5.1 tppt? -149.7 145.64 26.8 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.661 -0.866 . . . . 2.1800000000000002 108.661 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.537 ' CG2' ' HG ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -138.34 142.72 39.71 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.915 -1.115 . . . . 1.1599999999999999 111.595 -178.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.576 ' HB3' ' CH2' ' A' ' 98' ' ' TRP . 15.4 ttmm -154.51 128.49 8.85 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.617 -0.882 . . . . 2.4100000000000001 108.617 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.484 ' HA ' ' HG2' ' A' ' 95' ' ' GLN . 82.3 mttt -56.45 146.87 23.21 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 118.189 -1.404 . . . . 2.7400000000000002 107.8 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.631 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -153.81 -165.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.281 -2.411 0 C-N-CA 119.188 -1.005 . . . . 1.1200000000000001 110.835 -178.654 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.631 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 0.4 OUTLIER -116.64 -52.93 2.54 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 120.104 -0.638 . . . . 2.1499999999999999 111.177 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 16.6 p -144.14 163.13 34.5 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.029 -1.044 . . . . 1.4399999999999999 110.768 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.565 ' HB3' ' CE2' ' A' ' 119' ' ' TYR . . . -55.17 -43.69 74.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.391 -0.818 . . . . 1.04 109.883 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' ALA . 29.2 m-20 -43.77 -38.9 3.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.257 -0.902 . . . . 1.8899999999999999 109.351 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -66.27 -58.25 5.77 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.483 -0.761 . . . . 2.2400000000000002 109.527 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -43.57 -44.67 6.29 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.357 -0.839 . . . . 0.94999999999999996 110.062 179.449 -125.957 76.424 -176.235 104.305 2.022 103.768 -88.425 -102.313 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' O ' ' OG1' ' A' ' 75' ' ' THR . . . -46.59 -69.1 0.14 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 1.21 109.879 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 15.4 m-20 -47.61 -43.49 25.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.235 -0.916 . . . . 2.1499999999999999 109.838 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -74.74 -12.0 60.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.397 -0.814 . . . . 2.6499999999999999 110.115 179.775 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 70' ' ' CYS . 43.0 t -100.27 -39.02 8.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.302 -0.874 . . . . 0.79000000000000004 110.273 -179.917 176.11 54.666 -111.741 104.03 2.019 104.094 -119.218 -157.723 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.526 HG23 ' CG2' ' A' ' 38' ' ' THR . 0.0 OUTLIER -66.08 -51.97 53.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.886 . . . . 1.5900000000000001 110.287 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 4.4 mmt180 -42.73 94.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.321 -0.862 . . . . 3.6400000000000001 110.161 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' THR . 46.2 m-20 -61.42 -152.03 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.326 -0.859 . . . . 2.75 110.306 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 18.9 tttt 42.91 26.55 0.08 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.285 -0.885 . . . . 3.9900000000000002 110.157 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' ASN . . . -133.93 -52.04 0.08 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.271 -1.531 . . . . 0.98999999999999999 109.271 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.579 ' N ' ' CD2' ' A' ' 80' ' ' LEU . 2.5 mm? -93.9 141.02 23.16 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.281 -1.129 . . . . 1.1000000000000001 110.135 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.579 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 2.1 Cg_endo -59.55 -14.3 25.18 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.528 1.278 . . . . 0.55000000000000004 110.009 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 100' ' ' PRO . 1.3 p90 -121.34 18.95 11.43 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.68 -0.638 . . . . 0.76000000000000001 110.052 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.563 HG23 ' CE2' ' A' ' 124' ' ' TYR . 3.3 m 56.72 18.35 3.68 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.271 -0.893 . . . . 1.9299999999999999 108.8 -178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 5.0 t 56.3 81.49 0.13 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.42 -0.8 . . . . 1.1699999999999999 110.055 -179.885 -157.723 -119.218 -111.741 104.094 2.019 104.03 54.666 176.11 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 121' ' ' ASN . 13.5 mttt -79.87 -24.91 40.88 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.419 -0.801 . . . . 1.25 109.984 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.574 ' CB ' ' HA ' ' A' ' 120' ' ' GLU . . . -162.01 157.56 23.76 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.3 -0.875 . . . . 1.04 109.625 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.691 ' CE1' ' CG ' ' A' ' 119' ' ' TYR . 49.1 p90 -152.01 -174.52 4.89 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.075 -1.45 . . . . 0.40999999999999998 110.848 177.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 117' ' ' ASP . 37.4 t -147.22 152.23 13.21 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.982 0 C-N-CA 119.656 -0.818 . . . . 1.0900000000000001 110.569 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 66' ' ' THR . 30.3 t80 -124.52 117.61 24.74 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.603 -0.839 . . . . 0.47999999999999998 109.818 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.57 ' HA ' ' CD1' ' A' ' 116' ' ' PHE . 1.6 t0 -79.5 105.28 10.7 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.064 -1.023 . . . . 1.26 108.926 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 115' ' ' GLU . 16.2 mtpt -69.35 -24.87 63.96 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.723 -0.611 . . . . 1.6299999999999999 112.271 -178.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.41 ' HB3' ' CD ' ' A' ' 115' ' ' GLU . . . -96.95 -3.91 40.88 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.007 -1.058 . . . . 1.25 109.021 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.507 ' HB2' ' HB3' ' A' ' 90' ' ' ASP 0.281 6.4 mmt180 -127.98 0.13 5.93 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.852 -0.795 . . . . 3.71 108.852 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER 42.21 47.91 4.14 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.414 0.626 . . . . 1.1899999999999999 109.623 -179.272 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.484 ' HG2' ' HA ' ' A' ' 63' ' ' LYS . 9.6 mt-30 -119.34 167.33 12.0 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 122.043 0.925 . . . . 1.9199999999999999 111.742 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 0.8 OUTLIER -120.18 149.94 41.44 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.301 0.572 . . . . 0.40000000000000002 110.132 179.037 -102.313 -88.425 -176.235 103.768 2.022 104.305 76.424 -125.957 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.58 HD12 ' CZ ' ' A' ' 116' ' ' PHE . 1.5 mp -147.36 90.37 1.87 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.515 -0.741 . . . . 1.23 109.523 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 62' ' ' LYS . 10.7 m-90 -79.5 125.61 29.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.007 -1.058 . . . . 0.48999999999999999 110.422 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.598 ' CE1' HG22 ' A' ' 59' ' ' ILE . 50.9 m-85 -106.32 139.65 20.52 Favored Pre-proline 0 C--N 1.302 -1.483 0 O-C-N 121.902 -0.498 . . . . 1.77 109.861 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.623 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 2.4 Cg_endo -71.42 4.57 2.84 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.444 1.234 . . . . 0.41999999999999998 110.324 178.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.648 ' CE1' ' CG2' ' A' ' 108' ' ' VAL . 10.7 p90 -154.58 -171.26 3.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.949 -1.094 . . . . 0.57999999999999996 111.188 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -125.48 -178.57 4.28 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.235 -1.024 . . . . 0.89000000000000001 108.235 177.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.6 ' CB ' ' CD ' ' A' ' 110' ' ' LYS . 66.0 p -64.56 -9.79 21.61 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.969 -1.082 . . . . 1.1599999999999999 110.096 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.0 mmm -86.08 -26.06 25.51 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.36 -0.837 . . . . 1.24 110.797 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.545 ' CB ' ' HB2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -56.25 177.55 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.115 -0.99 . . . . 1.77 110.825 -179.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 107' ' ' GLY . 0.4 OUTLIER -106.62 -173.79 2.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.41 -0.806 . . . . 1.53 109.954 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . 41.57 31.7 0.72 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 108.893 -1.683 . . . . 0.89000000000000001 108.893 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.648 ' CG2' ' CE1' ' A' ' 101' ' ' PHE . 1.4 p -148.84 174.51 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.505 -0.997 . . . . 1.1299999999999999 110.653 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 10.0 mttt -157.41 161.75 38.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.377 -0.827 . . . . 2.7799999999999998 109.625 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.6 ' CD ' ' CB ' ' A' ' 103' ' ' SER . 16.0 mtpt -96.13 151.29 19.61 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.048 -1.032 . . . . 2.04 111.688 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.556 ' HG3' ' CD1' ' A' ' 51' ' ' ILE . 2.4 mt-10 -123.35 -154.82 0.62 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.445 0.641 . . . . 1.51 109.958 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 47' ' ' LYS . 1.2 t80 -136.71 -115.22 0.17 Allowed 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.406 -0.808 . . . . 0.68999999999999995 109.85 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 115' ' ' GLU . . . 123.92 -1.73 9.21 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.551 -1.419 . . . . 1.72 109.551 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 64.58 -57.42 0.25 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.611 -0.935 . . . . 2.75 110.847 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 113' ' ' GLY . 11.6 mt-10 -117.51 24.07 11.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.115 -0.99 . . . . 2.3999999999999999 111.158 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.58 ' CZ ' HD12 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -79.59 -160.87 0.29 Allowed 'General case' 0 C--N 1.305 -1.333 0 O-C-N 120.474 -1.391 . . . . 2.4300000000000002 110.049 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.594 ' O ' ' HA ' ' A' ' 88' ' ' VAL . 2.0 m-20 -159.44 139.04 11.49 Favored 'General case' 0 C--N 1.288 -2.082 0 CA-C-N 115.583 -0.735 . . . . 1.3 109.543 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.568 ' CD1' ' CG ' ' A' ' 120' ' ' GLU . 2.5 tp -109.62 118.89 37.76 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.389 -0.82 . . . . 1.9299999999999999 110.82 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.691 ' CG ' ' CE1' ' A' ' 87' ' ' PHE . 36.5 m-85 -121.03 89.09 3.06 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.181 -0.949 . . . . 0.98999999999999999 111.499 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.574 ' HA ' ' CB ' ' A' ' 86' ' ' ALA . 20.5 mt-10 -99.03 113.11 25.14 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.346 -0.846 . . . . 1.3300000000000001 111.672 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.624 ' ND2' ' CZ ' ' A' ' 42' ' ' PHE . 1.3 m-20 -56.23 126.48 26.34 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.929 -1.107 . . . . 1.78 108.932 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.582 ' CE ' ' CG ' ' A' ' 43' ' ' LYS . 28.7 mmtp -67.05 -31.57 72.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.326 -0.859 . . . . 2.52 110.648 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.24 -6.86 53.29 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.727 -0.789 . . . . 1.8999999999999999 109.288 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.563 ' CE2' HG23 ' A' ' 83' ' ' THR . 46.7 m-85 -118.95 -2.83 10.77 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 121.212 -0.93 . . . . 1.1799999999999999 110.933 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.523 ' CG1' ' HA ' ' A' ' 122' ' ' LYS . 18.2 mm -43.59 104.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.114 -0.992 . . . . 1.1799999999999999 110.273 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.527 ' N ' ' OD1' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -39.66 157.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.39 -0.819 . . . . 2.0099999999999998 110.462 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.999 -1.001 . . . . 4.04 110.213 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.554 -1.418 . . . . 12.19 109.554 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 6.7 tt0 -177.54 77.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -1.142 . . . . 11.67 110.177 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -49.89 -35.1 22.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.203 -0.936 . . . . 11.23 110.162 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER 38.86 -92.01 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.495 -0.753 . . . . 8.8000000000000007 111.098 179.683 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.18 -22.74 44.54 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.22 -0.925 . . . . 8.25 111.026 -179.317 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -42.37 -57.72 2.48 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.095 -1.003 . . . . 6.7400000000000002 110.202 -179.695 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -51.35 126.33 16.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 2.8500000000000001 109.998 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.935 HG21 HG21 ' A' ' 75' ' ' THR . 0.0 OUTLIER -109.01 2.4 21.25 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.31 -0.869 . . . . 1.6699999999999999 110.573 -179.729 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.903 HD11 ' CZ ' ' A' ' 119' ' ' TYR . 3.7 tt -55.15 -15.61 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.451 -0.781 . . . . 0.89000000000000001 110.74 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -80.0 7.48 8.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.056 -1.027 . . . . 2.8500000000000001 110.568 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.785 ' OE2' HG22 ' A' ' 38' ' ' THR . 12.0 mt-10 -115.77 -5.69 12.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 1.22 109.356 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.624 ' CZ ' ' ND2' ' A' ' 121' ' ' ASN . 46.3 m-85 -95.81 159.92 14.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.512 -0.742 . . . . 0.73999999999999999 110.733 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.582 ' CG ' ' CE ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -78.25 113.22 16.01 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.912 -1.144 . . . . 1.78 107.912 178.228 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.599 ' HD2' ' CE1' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -85.29 121.22 27.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.556 -0.715 . . . . 1.3700000000000001 111.97 -177.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.562 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 0.5 OUTLIER -141.85 84.04 1.87 Allowed 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 109.129 -0.693 . . . . 0.82999999999999996 109.129 178.618 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' A' ' 117' ' ' ASP . . . -63.85 162.93 12.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.162 -0.961 . . . . 0.27000000000000002 110.418 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.599 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 61.44 23.2 13.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.088 -1.008 . . . . 1.2 109.053 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.606 HG23 ' HE3' ' A' ' 110' ' ' LYS . 17.9 m -149.83 132.18 15.58 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.482 0.658 . . . . 0.31 111.011 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.575 ' CG2' ' HB3' ' A' ' 111' ' ' GLU . 5.0 t -134.82 -172.22 2.98 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.527 -0.916 . . . . 0.40999999999999998 108.527 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.951 HD21 ' HA ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -138.65 165.31 27.26 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.629 -1.295 . . . . 0.46000000000000002 111.428 -179.233 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.902 HG22 ' HE2' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -122.26 -145.81 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.503 -0.748 . . . . 0.84999999999999998 109.733 179.483 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.902 ' HE2' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -169.54 138.6 1.95 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.357 -0.84 . . . . 2.0699999999999998 109.94 179.067 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.478 HD11 ' HD2' ' A' ' 109' ' ' LYS . 4.0 mt -136.88 -8.32 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.913 -1.117 . . . . 0.5 111.119 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 107' ' ' GLY . 0.6 OUTLIER -83.43 150.55 60.49 Favored Pre-proline 0 C--N 1.296 -1.733 0 O-C-N 121.4 -0.813 . . . . 1.29 110.044 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 3.4 Cg_exo -62.18 -35.4 75.07 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 O-C-N 123.797 1.419 . . . . 0.80000000000000004 110.987 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.05 40.25 1.26 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.235 -0.915 . . . . 0.76000000000000001 110.592 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.639 ' CD2' ' CD2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -140.91 113.29 8.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.096 -1.003 . . . . 0.80000000000000004 110.538 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.576 ' O ' ' CD ' ' A' ' 100' ' ' PRO . 19.2 mmtt -125.56 -154.76 0.64 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.605 -0.685 . . . . 1.95 109.577 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -156.87 -168.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.968 -1.083 . . . . 0.31 109.986 179.137 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.552 ' HE3' ' CD1' ' A' ' 80' ' ' LEU . 5.1 tppt? -149.7 145.64 26.8 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.661 -0.866 . . . . 1.6499999999999999 108.661 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.935 HG22 ' HG ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -138.34 142.72 39.71 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.915 -1.115 . . . . 0.40999999999999998 111.595 -178.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.601 ' HB3' ' CH2' ' A' ' 98' ' ' TRP . 15.4 ttmm -154.51 128.49 8.85 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.617 -0.882 . . . . 1.9199999999999999 108.617 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.483 ' HA ' ' HG2' ' A' ' 95' ' ' GLN . 82.3 mttt -56.45 146.87 23.21 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 118.189 -1.404 . . . . 2.2200000000000002 107.8 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -153.81 -165.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.281 -2.411 0 C-N-CA 119.188 -1.005 . . . . 0.32000000000000001 110.835 -178.654 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.727 ' H ' HG13 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -116.64 -52.93 2.54 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 120.104 -0.638 . . . . 1.8999999999999999 111.177 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 16.6 p -144.14 163.13 34.5 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.029 -1.044 . . . . 0.87 110.768 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.529 ' HB1' ' CZ ' ' A' ' 119' ' ' TYR . . . -55.17 -43.69 74.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.391 -0.818 . . . . 0.40000000000000002 109.883 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' ALA . 29.2 m-20 -43.77 -38.9 3.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.257 -0.902 . . . . 1.8899999999999999 109.351 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 66' ' ' THR . 14.7 mm-40 -66.27 -58.25 5.77 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.483 -0.761 . . . . 1.99 109.527 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -43.57 -44.67 6.29 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.357 -0.839 . . . . 0.94999999999999996 110.062 179.449 -125.957 76.424 -176.235 104.305 2.022 103.768 -88.425 -102.313 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.81 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . . . -46.59 -69.1 0.14 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 0.53000000000000003 109.879 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.46 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 15.4 m-20 -47.61 -43.49 25.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.235 -0.916 . . . . 1.74 109.838 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -74.74 -12.0 60.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.397 -0.814 . . . . 2.1099999999999999 110.115 179.775 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 70' ' ' CYS . 43.0 t -100.27 -39.02 8.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.302 -0.874 . . . . 0.79000000000000004 110.273 -179.917 176.11 54.666 -111.741 104.03 2.019 104.094 -119.218 -157.723 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.935 HG21 HG21 ' A' ' 38' ' ' THR . 0.0 OUTLIER -66.08 -51.97 53.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.886 . . . . 1.1499999999999999 110.287 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 4.4 mmt180 -42.73 94.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.321 -0.862 . . . . 3.1299999999999999 110.161 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' THR . 46.2 m-20 -61.42 -152.03 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.326 -0.859 . . . . 2.4300000000000002 110.306 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 18.9 tttt 42.91 26.55 0.08 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.285 -0.885 . . . . 3.6000000000000001 110.157 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' ASN . . . -133.93 -52.04 0.08 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.271 -1.531 . . . . 0.68000000000000005 109.271 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.823 HD22 ' N ' ' A' ' 80' ' ' LEU . 2.5 mm? -93.9 141.02 23.16 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.281 -1.129 . . . . 0.39000000000000001 110.135 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 2.1 Cg_endo -59.55 -14.3 25.18 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.528 1.278 . . . . 0.46999999999999997 110.009 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 100' ' ' PRO . 1.3 p90 -121.34 18.95 11.43 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.68 -0.638 . . . . 0.76000000000000001 110.052 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.721 ' O ' HG22 ' A' ' 83' ' ' THR . 3.3 m 56.72 18.35 3.68 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.271 -0.893 . . . . 1.47 108.8 -178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 5.0 t 56.3 81.49 0.13 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.42 -0.8 . . . . 1.1699999999999999 110.055 -179.885 -157.723 -119.218 -111.741 104.094 2.019 104.03 54.666 176.11 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 121' ' ' ASN . 13.5 mttt -79.87 -24.91 40.88 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.419 -0.801 . . . . 0.53000000000000003 109.984 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 101' ' ' PHE . . . -162.01 157.56 23.76 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.3 -0.875 . . . . 0.28000000000000003 109.625 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.691 ' CE1' ' CG ' ' A' ' 119' ' ' TYR . 49.1 p90 -152.01 -174.52 4.89 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.075 -1.45 . . . . 0.34000000000000002 110.848 177.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.856 HG13 ' O ' ' A' ' 117' ' ' ASP . 37.4 t -147.22 152.23 13.21 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.982 0 C-N-CA 119.656 -0.818 . . . . 0.23999999999999999 110.569 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 66' ' ' THR . 30.3 t80 -124.52 117.61 24.74 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.603 -0.839 . . . . 0.35999999999999999 109.818 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.546 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . 1.6 t0 -79.5 105.28 10.7 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.064 -1.023 . . . . 1.26 108.926 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 115' ' ' GLU . 16.2 mtpt -69.35 -24.87 63.96 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.723 -0.611 . . . . 1.03 112.271 -178.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.552 ' HB2' ' CD ' ' A' ' 115' ' ' GLU . . . -96.95 -3.91 40.88 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.007 -1.058 . . . . 0.68000000000000005 109.021 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.531 ' HB2' ' HB3' ' A' ' 90' ' ' ASP 0.281 6.4 mmt180 -127.98 0.13 5.93 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.852 -0.795 . . . . 3.1699999999999999 108.852 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER 42.21 47.91 4.14 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.414 0.626 . . . . 0.56000000000000005 109.623 -179.272 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 63' ' ' LYS . 32.6 mt-30 -119.34 167.33 12.0 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 122.043 0.925 . . . . 1.8999999999999999 111.742 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.49 ' SG ' HG11 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -120.18 149.94 41.44 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.301 0.572 . . . . 0.40000000000000002 110.132 179.037 -102.313 -88.425 -176.235 103.768 2.022 104.305 76.424 -125.957 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.935 ' HG ' HG22 ' A' ' 61' ' ' THR . 1.5 mp -147.36 90.37 1.87 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.515 -0.741 . . . . 0.45000000000000001 109.523 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.601 ' CH2' ' HB3' ' A' ' 62' ' ' LYS . 10.7 m-90 -79.5 125.61 29.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.007 -1.058 . . . . 0.40999999999999998 110.422 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CD1' HG23 ' A' ' 59' ' ' ILE . 50.9 m-85 -106.32 139.65 20.52 Favored Pre-proline 0 C--N 1.302 -1.483 0 O-C-N 121.902 -0.498 . . . . 1.29 109.861 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.576 ' CD ' ' O ' ' A' ' 58' ' ' LYS . 2.4 Cg_endo -71.42 4.57 2.84 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.444 1.234 . . . . 0.37 110.324 178.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.961 ' CE1' HG21 ' A' ' 108' ' ' VAL . 10.7 p90 -154.58 -171.26 3.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.949 -1.094 . . . . 0.48999999999999999 111.188 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.543 ' ND2' ' HA ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -125.48 -178.57 4.28 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.235 -1.024 . . . . 0.89000000000000001 108.235 177.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.951 ' HA ' HD21 ' A' ' 50' ' ' LEU . 66.0 p -64.56 -9.79 21.61 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.969 -1.082 . . . . 0.62 110.096 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.0 mmm -86.08 -26.06 25.51 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.36 -0.837 . . . . 0.63 110.797 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.574 ' CB ' ' HB2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -56.25 177.55 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.115 -0.99 . . . . 1.3300000000000001 110.825 -179.481 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 107' ' ' GLY . 0.4 OUTLIER -106.62 -173.79 2.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.41 -0.806 . . . . 1.1000000000000001 109.954 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . 41.57 31.7 0.72 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 108.893 -1.683 . . . . 0.52000000000000002 108.893 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.961 HG21 ' CE1' ' A' ' 101' ' ' PHE . 1.4 p -148.84 174.51 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.505 -0.997 . . . . 0.51000000000000001 110.653 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 10.0 mttt -157.41 161.75 38.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.377 -0.827 . . . . 2.3500000000000001 109.625 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.606 ' HE3' HG23 ' A' ' 48' ' ' THR . 16.0 mtpt -96.13 151.29 19.61 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.048 -1.032 . . . . 1.3999999999999999 111.688 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.779 ' HG3' HD11 ' A' ' 51' ' ' ILE . 2.4 mt-10 -123.35 -154.82 0.62 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.445 0.641 . . . . 1.51 109.958 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 47' ' ' LYS . 1.2 t80 -136.71 -115.22 0.17 Allowed 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.406 -0.808 . . . . 0.65000000000000002 109.85 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 115' ' ' GLU . . . 123.92 -1.73 9.21 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.551 -1.419 . . . . 1.72 109.551 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.401 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 0.8 OUTLIER 64.58 -57.42 0.25 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.611 -0.935 . . . . 2.1099999999999999 110.847 179.636 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.552 ' CD ' ' HB2' ' A' ' 92' ' ' ALA . 11.6 mt-10 -117.51 24.07 11.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.115 -0.99 . . . . 2.3999999999999999 111.158 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -79.59 -160.87 0.29 Allowed 'General case' 0 C--N 1.305 -1.333 0 O-C-N 120.474 -1.391 . . . . 1.79 110.049 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.856 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.0 m-20 -159.44 139.04 11.49 Favored 'General case' 0 C--N 1.288 -2.082 0 CA-C-N 115.583 -0.735 . . . . 1.3 109.543 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.999 HD11 ' CG ' ' A' ' 120' ' ' GLU . 2.5 tp -109.62 118.89 37.76 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.389 -0.82 . . . . 1.3100000000000001 110.82 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.903 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 36.5 m-85 -121.03 89.09 3.06 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.181 -0.949 . . . . 0.41999999999999998 111.499 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.999 ' CG ' HD11 ' A' ' 118' ' ' LEU . 20.5 mt-10 -99.03 113.11 25.14 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.346 -0.846 . . . . 1.3100000000000001 111.672 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.624 ' ND2' ' CZ ' ' A' ' 42' ' ' PHE . 1.3 m-20 -56.23 126.48 26.34 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.929 -1.107 . . . . 1.78 108.932 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.595 ' HA ' ' CG1' ' A' ' 125' ' ' ILE . 28.7 mmtp -67.05 -31.57 72.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.326 -0.859 . . . . 2.0499999999999998 110.648 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.24 -6.86 53.29 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.727 -0.789 . . . . 1.8999999999999999 109.288 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.612 ' OH ' HG21 ' A' ' 83' ' ' THR . 46.7 m-85 -118.95 -2.83 10.77 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 121.212 -0.93 . . . . 0.64000000000000001 110.933 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.595 ' CG1' ' HA ' ' A' ' 122' ' ' LYS . 18.2 mm -43.59 104.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.114 -0.992 . . . . 0.45000000000000001 110.273 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.527 ' N ' ' OD1' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -39.66 157.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.39 -0.819 . . . . 1.53 110.462 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.999 -1.001 . . . . 3.3999999999999999 110.213 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 32' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.554 -1.418 . . . . 12.19 109.554 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 6.7 tt0 -177.54 77.86 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.259 -1.142 . . . . 11.67 110.177 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.528 ' HG2' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -49.89 -35.1 22.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.203 -0.936 . . . . 11.23 110.162 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' N ' ' HG2' ' A' ' 33' ' ' ARG . 0.1 OUTLIER 38.86 -92.01 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.495 -0.753 . . . . 8.8000000000000007 111.098 179.683 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -79.18 -22.74 44.54 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.22 -0.925 . . . . 8.25 111.026 -179.317 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -42.37 -57.72 2.48 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.095 -1.003 . . . . 6.7400000000000002 110.202 -179.695 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -51.35 126.33 16.7 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.263 -0.898 . . . . 2.8500000000000001 109.998 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.935 HG21 HG21 ' A' ' 75' ' ' THR . 0.0 OUTLIER -109.01 2.4 21.25 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.31 -0.869 . . . . 1.6699999999999999 110.573 -179.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.903 HD11 ' CZ ' ' A' ' 119' ' ' TYR . 3.7 tt -55.15 -15.61 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.451 -0.781 . . . . 0.89000000000000001 110.74 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -80.0 7.48 8.93 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.056 -1.027 . . . . 2.8500000000000001 110.568 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.785 ' OE2' HG22 ' A' ' 38' ' ' THR . 12.0 mt-10 -115.77 -5.69 12.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 1.22 109.356 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.624 ' CZ ' ' ND2' ' A' ' 121' ' ' ASN . 46.3 m-85 -95.81 159.92 14.74 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.512 -0.742 . . . . 0.73999999999999999 110.733 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.582 ' CG ' ' CE ' ' A' ' 122' ' ' LYS . 0.0 OUTLIER -78.25 113.22 16.01 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.912 -1.144 . . . . 1.78 107.912 178.228 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.599 ' HD2' ' CE1' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -85.29 121.22 27.71 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.556 -0.715 . . . . 1.3700000000000001 111.97 -177.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.562 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 0.5 OUTLIER -141.85 84.04 1.87 Allowed 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 109.129 -0.693 . . . . 0.82999999999999996 109.129 178.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' A' ' 117' ' ' ASP . . . -63.85 162.93 12.71 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.162 -0.961 . . . . 0.27000000000000002 110.418 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.599 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 61.44 23.2 13.5 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.088 -1.008 . . . . 1.2 109.053 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.606 HG23 ' HE3' ' A' ' 110' ' ' LYS . 17.9 m -149.83 132.18 15.58 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.482 0.658 . . . . 0.31 111.011 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.575 ' CG2' ' HB3' ' A' ' 111' ' ' GLU . 5.0 t -134.82 -172.22 2.98 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.527 -0.916 . . . . 0.40999999999999998 108.527 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.951 HD21 ' HA ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -138.65 165.31 27.26 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.629 -1.295 . . . . 0.46000000000000002 111.428 -179.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.902 HG22 ' HE2' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -122.26 -145.81 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.503 -0.748 . . . . 0.84999999999999998 109.733 179.483 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.902 ' HE2' HG22 ' A' ' 51' ' ' ILE . 0.0 OUTLIER -169.54 138.6 1.95 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.357 -0.84 . . . . 2.0699999999999998 109.94 179.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.478 HD11 ' HD2' ' A' ' 109' ' ' LYS . 4.0 mt -136.88 -8.32 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.913 -1.117 . . . . 0.5 111.119 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 107' ' ' GLY . 0.6 OUTLIER -83.43 150.55 60.49 Favored Pre-proline 0 C--N 1.296 -1.733 0 O-C-N 121.4 -0.813 . . . . 1.29 110.044 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 54' ' ' ASP . 3.4 Cg_exo -62.18 -35.4 75.07 Favored 'Trans proline' 0 C--N 1.31 -1.491 0 O-C-N 123.797 1.419 . . . . 0.80000000000000004 110.987 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.05 40.25 1.26 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.235 -0.915 . . . . 0.76000000000000001 110.592 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.639 ' CD2' ' CD2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -140.91 113.29 8.02 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.096 -1.003 . . . . 0.80000000000000004 110.538 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.576 ' O ' ' CD ' ' A' ' 100' ' ' PRO . 19.2 mmtt -125.56 -154.76 0.64 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.605 -0.685 . . . . 1.95 109.577 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.568 HG22 ' O ' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -156.87 -168.03 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 120.968 -1.083 . . . . 0.31 109.986 179.137 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.552 ' HE3' ' CD1' ' A' ' 80' ' ' LEU . 5.1 tppt? -149.7 145.64 26.8 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.661 -0.866 . . . . 1.6499999999999999 108.661 177.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.935 HG22 ' HG ' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -138.34 142.72 39.71 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.915 -1.115 . . . . 0.40999999999999998 111.595 -178.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.601 ' HB3' ' CH2' ' A' ' 98' ' ' TRP . 15.4 ttmm -154.51 128.49 8.85 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.617 -0.882 . . . . 1.9199999999999999 108.617 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.483 ' HA ' ' HG2' ' A' ' 95' ' ' GLN . 82.3 mttt -56.45 146.87 23.21 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 118.189 -1.404 . . . . 2.2200000000000002 107.8 178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 65' ' ' ASN . 0.6 OUTLIER -153.81 -165.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.281 -2.411 0 C-N-CA 119.188 -1.005 . . . . 0.32000000000000001 110.835 -178.654 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.727 ' H ' HG13 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -116.64 -52.93 2.54 Favored 'General case' 0 C--N 1.292 -1.933 0 C-N-CA 120.104 -0.638 . . . . 1.8999999999999999 111.177 -178.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 89' ' ' PHE . 16.6 p -144.14 163.13 34.5 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.029 -1.044 . . . . 0.87 110.768 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.529 ' HB1' ' CZ ' ' A' ' 119' ' ' TYR . . . -55.17 -43.69 74.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.391 -0.818 . . . . 0.40000000000000002 109.883 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 67' ' ' ALA . 29.2 m-20 -43.77 -38.9 3.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.257 -0.902 . . . . 1.8899999999999999 109.351 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -66.27 -58.25 5.77 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.483 -0.761 . . . . 1.99 109.527 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' A' ' 74' ' ' CYS . 0.1 OUTLIER -43.57 -44.67 6.29 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.357 -0.839 . . . . 0.94999999999999996 110.062 179.449 -125.957 76.424 -176.235 104.305 2.022 103.768 -88.425 -102.313 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.81 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . . . -46.59 -69.1 0.14 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.201 -0.937 . . . . 0.53000000000000003 109.879 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.46 ' O ' ' HG3' ' A' ' 76' ' ' ARG . 15.4 m-20 -47.61 -43.49 25.81 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.235 -0.916 . . . . 1.74 109.838 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -74.74 -12.0 60.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.397 -0.814 . . . . 2.1099999999999999 110.115 179.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.52 ' N ' ' O ' ' A' ' 70' ' ' CYS . 43.0 t -100.27 -39.02 8.23 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.302 -0.874 . . . . 0.79000000000000004 110.273 -179.917 176.11 54.666 -111.741 104.03 2.019 104.094 -119.218 -157.723 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.935 HG21 HG21 ' A' ' 38' ' ' THR . 0.0 OUTLIER -66.08 -51.97 53.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.282 -0.886 . . . . 1.1499999999999999 110.287 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 72' ' ' ASN . 4.4 mmt180 -42.73 94.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.321 -0.862 . . . . 3.1299999999999999 110.161 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 75' ' ' THR . 46.2 m-20 -61.42 -152.03 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.326 -0.859 . . . . 2.4300000000000002 110.306 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 18.9 tttt 42.91 26.55 0.08 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.285 -0.885 . . . . 3.6000000000000001 110.157 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 77' ' ' ASN . . . -133.93 -52.04 0.08 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.271 -1.531 . . . . 0.68000000000000005 109.271 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.823 HD22 ' N ' ' A' ' 80' ' ' LEU . 2.5 mm? -93.9 141.02 23.16 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.281 -1.129 . . . . 0.39000000000000001 110.135 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.563 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 2.1 Cg_endo -59.55 -14.3 25.18 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 O-C-N 123.528 1.278 . . . . 0.46999999999999997 110.009 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 100' ' ' PRO . 1.3 p90 -121.34 18.95 11.43 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.68 -0.638 . . . . 0.76000000000000001 110.052 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.721 ' O ' HG22 ' A' ' 83' ' ' THR . 3.3 m 56.72 18.35 3.68 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.271 -0.893 . . . . 1.47 108.8 -178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 5.0 t 56.3 81.49 0.13 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.42 -0.8 . . . . 1.1699999999999999 110.055 -179.885 -157.723 -119.218 -111.741 104.094 2.019 104.03 54.666 176.11 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 121' ' ' ASN . 13.5 mttt -79.87 -24.91 40.88 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.419 -0.801 . . . . 0.53000000000000003 109.984 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 101' ' ' PHE . . . -162.01 157.56 23.76 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.3 -0.875 . . . . 0.28000000000000003 109.625 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.691 ' CE1' ' CG ' ' A' ' 119' ' ' TYR . 49.1 p90 -152.01 -174.52 4.89 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 118.075 -1.45 . . . . 0.34000000000000002 110.848 177.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.856 HG13 ' O ' ' A' ' 117' ' ' ASP . 37.4 t -147.22 152.23 13.21 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.982 0 C-N-CA 119.656 -0.818 . . . . 0.23999999999999999 110.569 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 66' ' ' THR . 30.3 t80 -124.52 117.61 24.74 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.603 -0.839 . . . . 0.35999999999999999 109.818 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.546 ' CB ' ' CE1' ' A' ' 116' ' ' PHE . 1.6 t0 -79.5 105.28 10.7 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.064 -1.023 . . . . 1.26 108.926 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 115' ' ' GLU . 16.2 mtpt -69.35 -24.87 63.96 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.723 -0.611 . . . . 1.03 112.271 -178.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.552 ' HB2' ' CD ' ' A' ' 115' ' ' GLU . . . -96.95 -3.91 40.88 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.007 -1.058 . . . . 0.68000000000000005 109.021 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.531 ' HB2' ' HB3' ' A' ' 90' ' ' ASP 0.281 6.4 mmt180 -127.98 0.13 5.93 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 108.852 -0.795 . . . . 3.1699999999999999 108.852 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER 42.21 47.91 4.14 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.414 0.626 . . . . 0.56000000000000005 109.623 -179.272 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 63' ' ' LYS . 9.6 mt-30 -119.34 167.33 12.0 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 122.043 0.925 . . . . 1.8999999999999999 111.742 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.49 ' SG ' HG11 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -120.18 149.94 41.44 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.301 0.572 . . . . 0.40000000000000002 110.132 179.037 -102.313 -88.425 -176.235 103.768 2.022 104.305 76.424 -125.957 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.935 ' HG ' HG22 ' A' ' 61' ' ' THR . 1.5 mp -147.36 90.37 1.87 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.515 -0.741 . . . . 0.45000000000000001 109.523 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.601 ' CH2' ' HB3' ' A' ' 62' ' ' LYS . 10.7 m-90 -79.5 125.61 29.79 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.007 -1.058 . . . . 0.40999999999999998 110.422 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.564 ' CD1' HG23 ' A' ' 59' ' ' ILE . 50.9 m-85 -106.32 139.65 20.52 Favored Pre-proline 0 C--N 1.302 -1.483 0 O-C-N 121.902 -0.498 . . . . 1.29 109.861 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.576 ' CD ' ' O ' ' A' ' 58' ' ' LYS . 2.4 Cg_endo -71.42 4.57 2.84 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.444 1.234 . . . . 0.37 110.324 178.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.961 ' CE1' HG21 ' A' ' 108' ' ' VAL . 10.7 p90 -154.58 -171.26 3.79 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.949 -1.094 . . . . 0.48999999999999999 111.188 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.543 ' ND2' ' HA ' ' A' ' 125' ' ' ILE . 0.0 OUTLIER -125.48 -178.57 4.28 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 108.235 -1.024 . . . . 0.89000000000000001 108.235 177.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.951 ' HA ' HD21 ' A' ' 50' ' ' LEU . 66.0 p -64.56 -9.79 21.61 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.969 -1.082 . . . . 0.62 110.096 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.0 mmm -86.08 -26.06 25.51 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.36 -0.837 . . . . 0.63 110.797 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.574 ' CB ' ' HB2' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -56.25 177.55 0.06 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.115 -0.99 . . . . 1.3300000000000001 110.825 -179.481 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 107' ' ' GLY . 0.4 OUTLIER -106.62 -173.79 2.38 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.41 -0.806 . . . . 1.1000000000000001 109.954 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASP . . . 41.57 31.7 0.72 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 108.893 -1.683 . . . . 0.52000000000000002 108.893 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.961 HG21 ' CE1' ' A' ' 101' ' ' PHE . 1.4 p -148.84 174.51 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.505 -0.997 . . . . 0.51000000000000001 110.653 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.513 ' CG ' ' O ' ' A' ' 108' ' ' VAL . 10.0 mttt -157.41 161.75 38.97 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.377 -0.827 . . . . 2.3500000000000001 109.625 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.606 ' HE3' HG23 ' A' ' 48' ' ' THR . 16.0 mtpt -96.13 151.29 19.61 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.048 -1.032 . . . . 1.3999999999999999 111.688 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.779 ' HG3' HD11 ' A' ' 51' ' ' ILE . 2.4 mt-10 -123.35 -154.82 0.62 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-O 121.445 0.641 . . . . 1.51 109.958 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 47' ' ' LYS . 1.2 t80 -136.71 -115.22 0.17 Allowed 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.406 -0.808 . . . . 0.65000000000000002 109.85 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.517 ' O ' ' N ' ' A' ' 115' ' ' GLU . . . 123.92 -1.73 9.21 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.551 -1.419 . . . . 1.72 109.551 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.401 ' O ' ' HE2' ' A' ' 47' ' ' LYS . 0.8 OUTLIER 64.58 -57.42 0.25 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.611 -0.935 . . . . 2.1099999999999999 110.847 179.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.552 ' CD ' ' HB2' ' A' ' 92' ' ' ALA . 11.6 mt-10 -117.51 24.07 11.35 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.115 -0.99 . . . . 2.3999999999999999 111.158 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -79.59 -160.87 0.29 Allowed 'General case' 0 C--N 1.305 -1.333 0 O-C-N 120.474 -1.391 . . . . 1.79 110.049 179.573 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.856 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.0 m-20 -159.44 139.04 11.49 Favored 'General case' 0 C--N 1.288 -2.082 0 CA-C-N 115.583 -0.735 . . . . 1.3 109.543 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.999 HD11 ' CG ' ' A' ' 120' ' ' GLU . 2.5 tp -109.62 118.89 37.76 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.389 -0.82 . . . . 1.3100000000000001 110.82 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.903 ' CZ ' HD11 ' A' ' 39' ' ' ILE . 36.5 m-85 -121.03 89.09 3.06 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.181 -0.949 . . . . 0.41999999999999998 111.499 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.999 ' CG ' HD11 ' A' ' 118' ' ' LEU . 20.5 mt-10 -99.03 113.11 25.14 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.346 -0.846 . . . . 1.3100000000000001 111.672 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.624 ' ND2' ' CZ ' ' A' ' 42' ' ' PHE . 1.3 m-20 -56.23 126.48 26.34 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.929 -1.107 . . . . 1.78 108.932 178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.595 ' HA ' ' CG1' ' A' ' 125' ' ' ILE . 28.7 mmtp -67.05 -31.57 72.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.326 -0.859 . . . . 2.0499999999999998 110.648 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -76.24 -6.86 53.29 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 119.727 -0.789 . . . . 1.8999999999999999 109.288 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.612 ' OH ' HG21 ' A' ' 83' ' ' THR . 46.7 m-85 -118.95 -2.83 10.77 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 121.212 -0.93 . . . . 0.64000000000000001 110.933 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.595 ' CG1' ' HA ' ' A' ' 122' ' ' LYS . 18.2 mm -43.59 104.89 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.114 -0.992 . . . . 0.45000000000000001 110.273 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.527 ' N ' ' OD1' ' A' ' 102' ' ' ASN . 0.0 OUTLIER -39.66 157.24 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.39 -0.819 . . . . 1.53 110.462 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 117.999 -1.001 . . . . 3.3999999999999999 110.213 -179.992 . . . . . . . . 1 1 . 1 stop_ save_