data_1fwp_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 1fwp _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 full ' A' A ' 1' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 42' ' ' PRO . 2.1 Cg_endo . . . . . 0 N--CA 1.495 1.56 0 N-CA-C 107.62 -1.723 . . . . 1.05 107.62 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.555 ' CB ' ' HA ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -152.46 168.13 26.51 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 117.277 -1.769 . . . . 2.18 112.13 -179.507 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 4' ' ' ILE . 1.6 tpp180 -107.71 162.0 14.37 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 115.27 -0.877 . . . . 2.53 108.716 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.584 HG13 ' CE1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -146.0 104.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 106.143 -1.799 . . . . 1.96 106.143 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.453 ' C ' ' HG ' ' A' ' 6' ' ' LEU . 2.8 mp -105.67 147.88 10.8 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 O-C-N 120.499 -1.376 . . . . 1.25 109.155 -178.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.588 ' CD2' ' CG1' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -136.69 145.59 44.92 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.288 -0.883 . . . . 1.68 109.19 -179.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -134.81 97.89 3.89 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.211 -0.931 . . . . 1.47 110.289 -179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.519 ' HB3' ' CG2' ' A' ' 58' ' ' ILE . 5.7 tpt85 -171.61 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.373 0.606 . . . . 4.09 109.657 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.532 ' CB ' ' HB3' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -61.74 -169.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.445 -0.784 . . . . 2.19 110.171 -179.241 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -128.13 -159.09 0.92 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.675 -0.861 . . . . 3.79 108.675 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.04 75.22 6.79 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.194 -0.941 . . . . 2.37 109.627 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.7 -17.23 0.48 Allowed Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.711 -1.233 . . . . 1.29 110.357 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.532 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 1.1 mt-10 -87.04 -6.99 58.54 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.977 -1.307 . . . . 2.0 109.848 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.577 ' CG1' ' CD1' ' A' ' 37' ' ' LEU . 52.6 t -53.2 -52.59 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.207 -0.933 . . . . 1.18 109.245 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 5.2 m-20 -58.04 -27.91 64.01 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.282 -0.886 . . . . 2.16 108.839 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -62.7 -35.0 78.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.513 -0.742 . . . . 2.26 109.765 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.595 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -69.71 -67.63 0.47 Allowed 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.063 -1.088 . . . . 2.28 108.063 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.54 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -58.15 -12.79 3.84 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.309 -0.87 . . . . 1.91 109.671 178.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 4.2 mm-40 -77.97 -62.99 1.49 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.933 -1.104 . . . . 1.69 108.981 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 3.1 mm-40 -52.66 -45.3 66.68 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.504 -0.925 . . . . 2.23 108.504 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 21' ' ' LEU . 2.8 mp -68.51 -32.93 73.24 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.62 -0.881 . . . . 2.26 108.62 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.11 -2.3 90.55 Favored Glycine 0 N--CA 1.482 1.736 0 N-CA-C 109.055 -1.618 . . . . 0.39 109.055 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -108.53 -13.99 14.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.376 -1.073 . . . . 2.71 108.607 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 4.9 mt -108.05 -23.88 11.81 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.968 -1.123 . . . . 2.4 107.968 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.576 ' CG2' ' CD1' ' A' ' 45' ' ' ILE . 12.4 t -158.47 -171.49 3.48 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.599 -0.889 . . . . 1.4 108.599 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 27' ' ' LEU . 20.1 p -108.17 107.88 18.69 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 122.535 1.16 . . . . 1.89 109.879 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' CD1' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -56.85 -160.42 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 114.898 -1.046 . . . . 1.06 109.132 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.473 ' HB ' HG23 ' A' ' 40' ' ' ILE . 1.2 m -138.66 -42.91 0.49 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.943 -1.098 . . . . 1.8 111.15 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' O ' ' CD1' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -173.47 58.98 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.609 -1.307 . . . . 1.18 108.689 -178.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.57 ' HA ' ' HA ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -60.99 154.13 4.74 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.983 0 C-N-CA 119.428 -0.909 . . . . 1.28 110.899 -178.07 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.55 ' CG1' ' OG ' ' A' ' 38' ' ' SER . 0.4 OUTLIER -121.93 158.13 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 N-CA-C 108.763 -0.829 . . . . 1.16 108.763 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.57 ' HA ' ' CG1' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -108.66 162.72 13.9 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.753 0.787 . . . . 3.07 111.123 -178.588 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.497 ' HA2' ' HE3' ' A' ' 32' ' ' LYS . . . -169.8 172.28 43.66 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.875 -1.69 . . . . 0.81 108.875 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.0 -63.29 1.07 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.038 -1.272 . . . . 1.29 109.34 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 9' ' ' LEU . 4.1 p30 -140.38 12.85 2.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.344 -0.847 . . . . 1.48 109.022 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 1.1 t -120.02 102.38 8.5 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.332 -0.855 . . . . 1.68 109.33 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 2.7 tt -101.31 135.11 43.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.114 -0.991 . . . . 2.14 109.259 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.55 ' OG ' ' CG1' ' A' ' 31' ' ' VAL . 2.2 p -114.23 109.77 18.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.11 -0.994 . . . . 1.58 109.075 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.57 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . . . -97.49 155.62 16.86 Favored 'General case' 0 C--N 1.287 -2.118 0 C-N-CA 119.766 -0.774 . . . . 1.15 110.042 -179.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.593 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 1.6 mp -105.74 100.77 11.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.998 -1.112 . . . . 1.29 107.998 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' CD2' ' CD1' ' A' ' 45' ' ' ILE . 18.2 mt -108.64 128.27 25.86 Favored Pre-proline 0 C--N 1.303 -1.434 0 N-CA-C 108.149 -1.056 . . . . 1.43 108.149 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.537 ' HD2' HD11 ' A' ' 45' ' ' ILE . 24.9 Cg_endo -77.1 -164.46 0.27 Allowed 'Trans proline' 0 C--N 1.299 -2.061 0 C-N-CA 122.222 1.948 . . . . 0.42 114.073 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.77 22.75 29.48 Favored Glycine 0 C--N 1.297 -1.618 0 N-CA-C 109.555 -1.418 . . . . 0.57 109.555 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.93 36.06 0.93 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.503 -0.998 . . . . 2.44 108.698 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.596 ' CG2' ' N ' ' A' ' 46' ' ' ALA . 2.7 tt -119.53 -154.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 107.085 -1.45 . . . . 1.28 107.085 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.596 ' N ' ' CG2' ' A' ' 45' ' ' ILE . . . -93.36 49.57 1.41 Allowed 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 105.353 -2.091 . . . . 1.16 105.353 176.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HG3' HG21 ' A' ' 45' ' ' ILE . 12.7 mp0 -45.08 -57.83 3.61 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.717 0.77 . . . . 1.22 109.359 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.63 -25.88 68.42 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.732 0.777 . . . . 1.33 109.455 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -77.44 -20.06 55.09 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.646 -0.658 . . . . 1.29 109.486 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.542 HG13 ' CD1' ' A' ' 41' ' ' LEU . 5.5 mm -86.97 -55.43 6.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 107.729 -1.212 . . . . 1.88 107.729 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.447 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 2.1 m -45.49 -31.87 1.95 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.976 -1.12 . . . . 1.37 107.976 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.444 ' O ' ' SG ' ' A' ' 55' ' ' CYS . . . -87.31 -37.81 16.82 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.752 -0.593 . . . . 1.25 109.989 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.497 HG13 ' N ' ' A' ' 54' ' ' LEU . 1.5 t -78.52 -67.93 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 1.96 109.618 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.581 ' O ' ' CG1' ' A' ' 58' ' ' ILE . 13.5 mt -40.7 -45.93 2.51 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.123 -0.631 . . . . 2.52 110.528 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.553 ' O ' ' O ' ' A' ' 59' ' ' GLU . 31.7 p -63.52 -41.94 98.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.028 -1.045 . . . . 2.12 110.012 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.426 ' N ' ' SG ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -77.25 2.61 15.07 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.248 -1.533 . . . . 2.37 109.185 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.5 t -106.24 -4.8 10.0 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 107.297 -1.372 . . . . 1.33 107.297 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.581 ' CG1' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -143.83 -57.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.563 -0.71 . . . . 1.18 109.581 179.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 55' ' ' CYS . 4.4 pt-20 -173.52 -145.51 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.899 -1.126 . . . . 1.77 109.584 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 59' ' ' GLU . . . -147.37 31.57 0.9 Allowed 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.036 -1.04 . . . . 1.16 109.816 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' O ' ' CD ' ' A' ' 62' ' ' GLN . 3.7 t0 -157.74 15.09 0.23 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.149 -0.969 . . . . 2.01 110.46 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 7' ' ' SER . 2.2 mp0 -131.19 13.7 5.14 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.993 -1.067 . . . . 3.86 109.099 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.588 ' CG1' ' CD2' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -111.16 140.15 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.453 -0.78 . . . . 1.81 109.308 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.0 m -159.91 142.04 13.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.29 -0.881 . . . . 1.38 109.413 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE1' HG13 ' A' ' 4' ' ' ILE . 4.0 m-85 -108.47 114.53 28.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.143 -0.973 . . . . 2.12 108.882 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 1.5 tp10 -108.3 101.65 10.84 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 2.44 109.781 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.555 ' HA ' ' CB ' ' A' ' 2' ' ' ARG . 6.1 t -41.64 148.37 0.16 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.084 -1.01 . . . . 1.35 109.52 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 66' ' ' GLU . 32.3 m -137.4 40.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.277 -0.889 . . . . 2.33 108.933 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' VAL . 27.3 tt0 . . . . . 0 C--N 1.304 -1.413 0 CA-C-O 117.999 -1.001 . . . . 3.95 109.601 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 42' ' ' PRO . 2.1 Cg_endo . . . . . 0 N--CA 1.495 1.56 0 N-CA-C 107.62 -1.723 . . . . 0.89 107.62 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.575 ' CB ' ' HA ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -152.46 168.13 26.51 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 117.277 -1.769 . . . . 1.55 112.13 -179.507 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.606 ' HG2' HD11 ' A' ' 5' ' ' ILE . 1.6 tpp180 -107.71 162.0 14.37 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 115.27 -0.877 . . . . 2.02 108.716 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.879 ' O ' HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -146.0 104.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 106.143 -1.799 . . . . 1.31 106.143 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.606 HD11 ' HG2' ' A' ' 3' ' ' ARG . 2.8 mp -105.67 147.88 10.8 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 O-C-N 120.499 -1.376 . . . . 0.56 109.155 -178.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.132 HD23 ' CG1' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -136.69 145.59 44.92 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.288 -0.883 . . . . 1.07 109.19 -179.473 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.491 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -134.81 97.89 3.89 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.211 -0.931 . . . . 1.08 110.289 -179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HB3' ' CG2' ' A' ' 58' ' ' ILE . 5.7 tpt85 -171.61 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.373 0.606 . . . . 3.44 109.657 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.558 ' CB ' ' HB3' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -61.74 -169.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.445 -0.784 . . . . 1.61 110.171 -179.241 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -128.13 -159.09 0.92 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.675 -0.861 . . . . 3.41 108.675 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.04 75.22 6.79 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.194 -0.941 . . . . 1.93 109.627 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.7 -17.23 0.48 Allowed Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.711 -1.233 . . . . 0.86 110.357 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.558 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 1.1 mt-10 -87.04 -6.99 58.54 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.977 -1.307 . . . . 2.0 109.848 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.122 ' CG1' HD12 ' A' ' 37' ' ' LEU . 52.6 t -53.2 -52.59 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.207 -0.933 . . . . 0.52 109.245 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 5.2 m-20 -58.04 -27.91 64.01 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.282 -0.886 . . . . 2.16 108.839 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -62.7 -35.0 78.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.513 -0.742 . . . . 1.66 109.765 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 1.026 HD13 HD22 ' A' ' 54' ' ' LEU . 0.6 OUTLIER -69.71 -67.63 0.47 Allowed 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.063 -1.088 . . . . 1.7 108.063 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.787 ' CB ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.15 -12.79 3.84 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.309 -0.87 . . . . 1.78 109.671 178.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 4.2 mm-40 -77.97 -62.99 1.49 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.933 -1.104 . . . . 1.69 108.981 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 3.1 mm-40 -52.66 -45.3 66.68 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.504 -0.925 . . . . 2.23 108.504 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.969 HD21 HD11 ' A' ' 54' ' ' LEU . 2.8 mp -68.51 -32.93 73.24 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.62 -0.881 . . . . 1.64 108.62 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.11 -2.3 90.55 Favored Glycine 0 N--CA 1.482 1.736 0 N-CA-C 109.055 -1.618 . . . . 0.39 109.055 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -108.53 -13.99 14.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.376 -1.073 . . . . 2.23 108.607 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 4.9 mt -108.05 -23.88 11.81 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.968 -1.123 . . . . 1.84 107.968 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.673 HG23 HD11 ' A' ' 45' ' ' ILE . 12.4 t -158.47 -171.49 3.48 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.599 -0.889 . . . . 1.06 108.599 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 27' ' ' LEU . 20.1 p -108.17 107.88 18.69 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 122.535 1.16 . . . . 1.41 109.879 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.988 HD22 HG12 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -56.85 -160.42 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 114.898 -1.046 . . . . 0.33 109.132 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.683 HG21 HG21 ' A' ' 40' ' ' ILE . 1.2 m -138.66 -42.91 0.49 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.943 -1.098 . . . . 1.14 111.15 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.794 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -173.47 58.98 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.609 -1.307 . . . . 1.18 108.689 -178.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.988 HG12 HD22 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -60.99 154.13 4.74 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.983 0 C-N-CA 119.428 -0.909 . . . . 0.6 110.899 -178.07 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.601 HG12 ' OG ' ' A' ' 38' ' ' SER . 0.4 OUTLIER -121.93 158.13 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 N-CA-C 108.763 -0.829 . . . . 0.45 108.763 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.756 ' HA ' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -108.66 162.72 13.9 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.753 0.787 . . . . 2.57 111.123 -178.588 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.686 ' H ' HG21 ' A' ' 14' ' ' VAL . . . -169.8 172.28 43.66 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.875 -1.69 . . . . 0.81 108.875 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.0 -63.29 1.07 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.038 -1.272 . . . . 0.73 109.34 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 9' ' ' LEU . 4.1 p30 -140.38 12.85 2.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.344 -0.847 . . . . 1.48 109.022 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.518 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 1.1 t -120.02 102.38 8.5 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.332 -0.855 . . . . 1.28 109.33 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 1.122 HD12 ' CG1' ' A' ' 14' ' ' VAL . 2.7 tt -101.31 135.11 43.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.114 -0.991 . . . . 1.6 109.259 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.601 ' OG ' HG12 ' A' ' 31' ' ' VAL . 2.2 p -114.23 109.77 18.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.11 -0.994 . . . . 1.27 109.075 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.674 ' C ' HD12 ' A' ' 40' ' ' ILE . . . -97.49 155.62 16.86 Favored 'General case' 0 C--N 1.287 -2.118 0 C-N-CA 119.766 -0.774 . . . . 0.53 110.042 -179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 29' ' ' ASP . 1.6 mp -105.74 100.77 11.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.998 -1.112 . . . . 0.65 107.998 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.954 HD22 HG21 ' A' ' 45' ' ' ILE . 18.2 mt -108.64 128.27 25.86 Favored Pre-proline 0 C--N 1.303 -1.434 0 N-CA-C 108.149 -1.056 . . . . 0.72 108.149 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 1' ' ' PRO . 24.9 Cg_endo -77.1 -164.46 0.27 Allowed 'Trans proline' 0 C--N 1.299 -2.061 0 C-N-CA 122.222 1.948 . . . . 0.35 114.073 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.77 22.75 29.48 Favored Glycine 0 C--N 1.297 -1.618 0 N-CA-C 109.555 -1.418 . . . . 0.57 109.555 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.93 36.06 0.93 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.503 -0.998 . . . . 2.44 108.698 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.954 HG21 HD22 ' A' ' 41' ' ' LEU . 2.7 tt -119.53 -154.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 107.085 -1.45 . . . . 1.28 107.085 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.963 ' HB1' ' CB ' ' A' ' 49' ' ' ASP . . . -93.36 49.57 1.41 Allowed 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 105.353 -2.091 . . . . 0.53 105.353 176.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.905 ' HG3' HG22 ' A' ' 45' ' ' ILE . 12.7 mp0 -45.08 -57.83 3.61 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.717 0.77 . . . . 1.22 109.359 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.63 -25.88 68.42 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.732 0.777 . . . . 1.33 109.455 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.963 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -77.44 -20.06 55.09 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.646 -0.658 . . . . 1.29 109.486 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.624 HD12 ' HG ' ' A' ' 21' ' ' LEU . 5.5 mm -86.97 -55.43 6.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 107.729 -1.212 . . . . 1.25 107.729 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.442 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 2.1 m -45.49 -31.87 1.95 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.976 -1.12 . . . . 0.8 107.976 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.444 ' O ' ' SG ' ' A' ' 55' ' ' CYS . . . -87.31 -37.81 16.82 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.752 -0.593 . . . . 0.6 109.989 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.668 HG12 ' N ' ' A' ' 54' ' ' LEU . 1.5 t -78.52 -67.93 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 1.38 109.618 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.042 HD13 HD21 ' A' ' 6' ' ' LEU . 13.5 mt -40.7 -45.93 2.51 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.123 -0.631 . . . . 2.03 110.528 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.828 ' HA ' HD13 ' A' ' 63' ' ' ILE . 31.7 p -63.52 -41.94 98.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.028 -1.045 . . . . 1.73 110.012 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.426 ' N ' ' SG ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -77.25 2.61 15.07 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.248 -1.533 . . . . 1.57 109.185 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 53' ' ' VAL . 61.5 t -106.24 -4.8 10.0 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 107.297 -1.372 . . . . 0.71 107.297 178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.8 ' CD1' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -143.83 -57.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.563 -0.71 . . . . 0.58 109.581 179.379 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 55' ' ' CYS . 4.4 pt-20 -173.52 -145.51 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.899 -1.126 . . . . 1.77 109.584 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 59' ' ' GLU . . . -147.37 31.57 0.9 Allowed 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.036 -1.04 . . . . 0.64 109.816 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' O ' ' CD ' ' A' ' 62' ' ' GLN . 3.7 t0 -157.74 15.09 0.23 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.149 -0.969 . . . . 2.01 110.46 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 7' ' ' SER . 2.2 mp0 -131.19 13.7 5.14 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.993 -1.067 . . . . 3.13 109.099 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 1.132 ' CG1' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -111.16 140.15 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.453 -0.78 . . . . 1.05 109.308 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.0 m -159.91 142.04 13.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.29 -0.881 . . . . 0.76 109.413 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE1' HG13 ' A' ' 4' ' ' ILE . 4.0 m-85 -108.47 114.53 28.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.143 -0.973 . . . . 1.26 108.882 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 1.5 tp10 -108.3 101.65 10.84 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 2.44 109.781 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.575 ' HA ' ' CB ' ' A' ' 2' ' ' ARG . 6.1 t -41.64 148.37 0.16 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.084 -1.01 . . . . 0.81 109.52 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 66' ' ' GLU . 32.3 m -137.4 40.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.277 -0.889 . . . . 1.82 108.933 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' VAL . 27.3 tt0 . . . . . 0 C--N 1.304 -1.413 0 CA-C-O 117.999 -1.001 . . . . 3.95 109.601 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 42' ' ' PRO . 2.1 Cg_endo . . . . . 0 N--CA 1.495 1.56 0 N-CA-C 107.62 -1.723 . . . . 0.89 107.62 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.575 ' CB ' ' HA ' ' A' ' 67' ' ' THR . 0.0 OUTLIER -152.46 168.13 26.51 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 117.277 -1.769 . . . . 1.55 112.13 -179.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.606 ' HG2' HD11 ' A' ' 5' ' ' ILE . 1.6 tpp180 -107.71 162.0 14.37 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 115.27 -0.877 . . . . 2.02 108.716 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.879 ' O ' HD13 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -146.0 104.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 106.143 -1.799 . . . . 1.31 106.143 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.606 HD11 ' HG2' ' A' ' 3' ' ' ARG . 2.8 mp -105.67 147.88 10.8 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 O-C-N 120.499 -1.376 . . . . 0.56 109.155 -178.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.132 HD23 ' CG1' ' A' ' 63' ' ' ILE . 0.3 OUTLIER -136.69 145.59 44.92 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.288 -0.883 . . . . 1.07 109.19 -179.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.491 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -134.81 97.89 3.89 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.211 -0.931 . . . . 1.08 110.289 -179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HB3' ' CG2' ' A' ' 58' ' ' ILE . 5.7 tpt85 -171.61 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.373 0.606 . . . . 3.44 109.657 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.558 ' CB ' ' HB3' ' A' ' 13' ' ' GLU . 0.1 OUTLIER -61.74 -169.84 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.445 -0.784 . . . . 1.61 110.171 -179.241 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -128.13 -159.09 0.92 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.675 -0.861 . . . . 3.41 108.675 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.04 75.22 6.79 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.194 -0.941 . . . . 1.93 109.627 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.7 -17.23 0.48 Allowed Glycine 0 N--CA 1.492 2.392 0 C-N-CA 119.711 -1.233 . . . . 0.86 110.357 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.558 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 1.1 mt-10 -87.04 -6.99 58.54 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.977 -1.307 . . . . 2.0 109.848 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.122 ' CG1' HD12 ' A' ' 37' ' ' LEU . 52.6 t -53.2 -52.59 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.207 -0.933 . . . . 0.52 109.245 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 19' ' ' GLU . 5.2 m-20 -58.04 -27.91 64.01 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.282 -0.886 . . . . 2.16 108.839 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -62.7 -35.0 78.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.513 -0.742 . . . . 1.66 109.765 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 1.026 HD13 HD22 ' A' ' 54' ' ' LEU . 0.6 OUTLIER -69.71 -67.63 0.47 Allowed 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.063 -1.088 . . . . 1.7 108.063 179.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.787 ' CB ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -58.15 -12.79 3.84 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.309 -0.87 . . . . 1.78 109.671 178.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 4.2 mm-40 -77.97 -62.99 1.49 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.933 -1.104 . . . . 1.69 108.981 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 3.1 mm-40 -52.66 -45.3 66.68 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.504 -0.925 . . . . 2.23 108.504 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.969 HD21 HD11 ' A' ' 54' ' ' LEU . 2.8 mp -68.51 -32.93 73.24 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.62 -0.881 . . . . 1.64 108.62 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.11 -2.3 90.55 Favored Glycine 0 N--CA 1.482 1.736 0 N-CA-C 109.055 -1.618 . . . . 0.39 109.055 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -108.53 -13.99 14.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.376 -1.073 . . . . 2.23 108.607 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 20' ' ' GLU . 4.9 mt -108.05 -23.88 11.81 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 107.968 -1.123 . . . . 1.84 107.968 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.673 HG23 HD11 ' A' ' 45' ' ' ILE . 12.4 t -158.47 -171.49 3.48 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.599 -0.889 . . . . 1.06 108.599 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.47 ' O ' ' O ' ' A' ' 27' ' ' LEU . 20.1 p -108.17 107.88 18.69 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 122.535 1.16 . . . . 1.41 109.879 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.988 HD22 HG12 ' A' ' 30' ' ' VAL . 0.5 OUTLIER -56.85 -160.42 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 114.898 -1.046 . . . . 0.33 109.132 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.683 HG21 HG21 ' A' ' 40' ' ' ILE . 1.2 m -138.66 -42.91 0.49 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 120.943 -1.098 . . . . 1.14 111.15 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.794 ' O ' HD13 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -173.47 58.98 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.609 -1.307 . . . . 1.18 108.689 -178.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.988 HG12 HD22 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -60.99 154.13 4.74 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.983 0 C-N-CA 119.428 -0.909 . . . . 0.6 110.899 -178.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.601 HG12 ' OG ' ' A' ' 38' ' ' SER . 0.4 OUTLIER -121.93 158.13 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.415 0 N-CA-C 108.763 -0.829 . . . . 0.45 108.763 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.756 ' HA ' HG11 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -108.66 162.72 13.9 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.753 0.787 . . . . 2.57 111.123 -178.588 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.686 ' H ' HG21 ' A' ' 14' ' ' VAL . . . -169.8 172.28 43.66 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 108.875 -1.69 . . . . 0.81 108.875 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.0 -63.29 1.07 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.038 -1.272 . . . . 0.73 109.34 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.529 ' CB ' ' O ' ' A' ' 9' ' ' LEU . 4.1 p30 -140.38 12.85 2.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.344 -0.847 . . . . 1.48 109.022 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.518 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 1.1 t -120.02 102.38 8.5 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.332 -0.855 . . . . 1.28 109.33 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 1.122 HD12 ' CG1' ' A' ' 14' ' ' VAL . 2.7 tt -101.31 135.11 43.34 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.114 -0.991 . . . . 1.6 109.259 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.601 ' OG ' HG12 ' A' ' 31' ' ' VAL . 2.2 p -114.23 109.77 18.91 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.11 -0.994 . . . . 1.27 109.075 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.674 ' C ' HD12 ' A' ' 40' ' ' ILE . . . -97.49 155.62 16.86 Favored 'General case' 0 C--N 1.287 -2.118 0 C-N-CA 119.766 -0.774 . . . . 0.53 110.042 -179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 29' ' ' ASP . 1.6 mp -105.74 100.77 11.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 N-CA-C 107.998 -1.112 . . . . 0.65 107.998 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.954 HD22 HG21 ' A' ' 45' ' ' ILE . 18.2 mt -108.64 128.27 25.86 Favored Pre-proline 0 C--N 1.303 -1.434 0 N-CA-C 108.149 -1.056 . . . . 0.72 108.149 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 1' ' ' PRO . 24.9 Cg_endo -77.1 -164.46 0.27 Allowed 'Trans proline' 0 C--N 1.299 -2.061 0 C-N-CA 122.222 1.948 . . . . 0.35 114.073 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.77 22.75 29.48 Favored Glycine 0 C--N 1.297 -1.618 0 N-CA-C 109.555 -1.418 . . . . 0.57 109.555 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.93 36.06 0.93 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.503 -0.998 . . . . 2.44 108.698 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.954 HG21 HD22 ' A' ' 41' ' ' LEU . 2.7 tt -119.53 -154.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 107.085 -1.45 . . . . 1.28 107.085 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.963 ' HB1' ' CB ' ' A' ' 49' ' ' ASP . . . -93.36 49.57 1.41 Allowed 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 105.353 -2.091 . . . . 0.53 105.353 176.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.905 ' HG3' HG22 ' A' ' 45' ' ' ILE . 12.7 mp0 -45.08 -57.83 3.61 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-O 121.717 0.77 . . . . 1.22 109.359 -178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.63 -25.88 68.42 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.732 0.777 . . . . 1.33 109.455 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.963 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -77.44 -20.06 55.09 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.646 -0.658 . . . . 1.29 109.486 -179.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.624 HD12 ' HG ' ' A' ' 21' ' ' LEU . 5.5 mm -86.97 -55.43 6.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 107.729 -1.212 . . . . 1.25 107.729 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.442 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 2.1 m -45.49 -31.87 1.95 Allowed 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.976 -1.12 . . . . 0.8 107.976 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.444 ' O ' ' SG ' ' A' ' 55' ' ' CYS . . . -87.31 -37.81 16.82 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.752 -0.593 . . . . 0.6 109.989 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.668 HG12 ' N ' ' A' ' 54' ' ' LEU . 1.5 t -78.52 -67.93 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.298 -0.876 . . . . 1.38 109.618 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.042 HD13 HD21 ' A' ' 6' ' ' LEU . 13.5 mt -40.7 -45.93 2.51 Favored 'General case' 0 C--N 1.3 -1.583 0 C-N-CA 120.123 -0.631 . . . . 2.03 110.528 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.828 ' HA ' HD13 ' A' ' 63' ' ' ILE . 31.7 p -63.52 -41.94 98.47 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.028 -1.045 . . . . 1.73 110.012 -178.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.426 ' N ' ' SG ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -77.25 2.61 15.07 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.248 -1.533 . . . . 1.57 109.185 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 53' ' ' VAL . 61.5 t -106.24 -4.8 10.0 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.584 0 N-CA-C 107.297 -1.372 . . . . 0.71 107.297 178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.8 ' CD1' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -143.83 -57.63 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.563 -0.71 . . . . 0.58 109.581 179.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.553 ' O ' ' O ' ' A' ' 55' ' ' CYS . 4.4 pt-20 -173.52 -145.51 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 O-C-N 120.899 -1.126 . . . . 1.77 109.584 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 59' ' ' GLU . . . -147.37 31.57 0.9 Allowed 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.036 -1.04 . . . . 0.64 109.816 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' O ' ' CD ' ' A' ' 62' ' ' GLN . 3.7 t0 -157.74 15.09 0.23 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.149 -0.969 . . . . 2.01 110.46 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 7' ' ' SER . 2.2 mp0 -131.19 13.7 5.14 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.993 -1.067 . . . . 3.13 109.099 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 1.132 ' CG1' HD23 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -111.16 140.15 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.453 -0.78 . . . . 1.05 109.308 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.0 m -159.91 142.04 13.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.29 -0.881 . . . . 0.76 109.413 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.599 ' CE1' HG13 ' A' ' 4' ' ' ILE . 4.0 m-85 -108.47 114.53 28.44 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.143 -0.973 . . . . 1.26 108.882 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 1.5 tp10 -108.3 101.65 10.84 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.407 -0.808 . . . . 2.44 109.781 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.575 ' HA ' ' CB ' ' A' ' 2' ' ' ARG . 6.1 t -41.64 148.37 0.16 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.084 -1.01 . . . . 0.81 109.52 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 66' ' ' GLU . 32.3 m -137.4 40.29 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.277 -0.889 . . . . 1.82 108.933 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' VAL . 27.3 tt0 . . . . . 0 C--N 1.304 -1.413 0 CA-C-O 117.999 -1.001 . . . . 3.95 109.601 -179.514 . . . . . . . . 1 1 . 1 stop_ save_