data_1irf_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 1irf _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 ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.501 1.915 0 N-CA-C 110.196 -0.732 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.8 m -107.19 68.68 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.806 . . . . 0.0 109.334 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.47 171.0 10.04 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.327 -0.858 . . . . 0.0 110.712 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.09 83.78 2.18 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 122.07 0.938 . . . . 0.0 110.038 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.581 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 2.0 mmm -65.21 -20.92 66.66 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.255 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.597 ' HB3' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER 80.67 125.74 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.243 0 CA-C-O 122.063 0.935 . . . . 0.0 110.164 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.464 ' SD ' ' HB2' ' A' ' 84' ' ' ALA . 3.1 ttt -63.57 -45.91 88.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.814 -0.554 . . . . 0.0 110.915 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 5.9 mtp180 -46.38 -56.73 10.18 Favored Pre-proline 0 N--CA 1.511 2.61 0 O-C-N 121.402 -0.811 . . . . 0.0 111.649 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.597 ' CD ' ' HB3' ' A' ' 7' ' ' ARG . 30.6 Cg_endo -71.19 -36.93 6.52 Favored 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 121.723 1.615 . . . . 0.0 110.004 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.534 ' CZ3' ' HG3' ' A' ' 15' ' ' GLN . 60.5 t90 -54.48 -44.18 72.39 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.34 -47.27 50.91 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' HA ' ' HZ2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -50.09 -37.91 35.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.815 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.13 -61.5 1.77 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.852 -0.53 . . . . 0.0 109.822 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.534 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 75.6 mm-40 -49.61 -45.74 48.51 Favored 'General case' 0 N--CA 1.51 2.543 0 O-C-N 121.23 -0.919 . . . . 0.0 109.982 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.549 HD12 ' CG ' ' A' ' 34' ' ' PHE . 31.3 mt -62.46 -49.22 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -61.0 -45.83 93.22 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.598 -0.689 . . . . 0.0 110.275 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 m -70.13 -25.4 63.46 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.688 -0.632 . . . . 0.0 110.578 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 63.78 60.18 1.08 Allowed 'General case' 0 N--CA 1.5 2.065 0 CA-C-O 121.668 0.747 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.449 ' CG2' HG12 ' A' ' 21' ' ' ILE . 7.7 t -79.44 -29.89 42.01 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.369 -0.832 . . . . 0.0 110.668 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' A' ' 24' ' ' LEU . 9.7 mm -107.22 131.39 21.74 Favored Pre-proline 0 N--CA 1.502 2.153 0 O-C-N 121.043 -1.036 . . . . 0.0 108.99 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -68.3 78.94 0.61 Allowed 'Trans proline' 0 C--N 1.322 -0.842 0 C-N-CA 122.529 2.152 . . . . 0.0 110.145 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.92 -39.12 0.78 Allowed Glycine 0 N--CA 1.495 2.611 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.614 ' HA ' ' O ' ' A' ' 35' ' ' GLN . 0.1 OUTLIER -79.18 126.13 30.34 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.495 ' HG3' ' C ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -178.67 168.57 1.73 Allowed 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 119.337 -0.945 . . . . 0.0 111.701 -178.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.614 ' CE3' ' HB3' ' A' ' 34' ' ' PHE . 87.8 m95 -74.88 120.96 21.14 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.575 HD13 ' CG1' ' A' ' 108' ' ' VAL . 4.4 mt -80.35 -34.59 36.41 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 176.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.412 ' HB3' HD12 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -144.12 76.32 1.5 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 178.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -58.91 -28.95 66.69 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.473 -0.767 . . . . 0.0 110.613 -178.067 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' CD ' ' HG3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -55.33 -48.41 74.21 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.323 -0.861 . . . . 0.0 108.814 179.167 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.658 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . 3.2 mtmm -93.61 6.33 48.65 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.217 -0.927 . . . . 0.0 109.403 178.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 111' ' ' MET . 18.5 mtpt 68.49 52.84 0.59 Allowed 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.707 0.765 . . . . 0.0 111.797 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.658 ' CD1' ' HB2' ' A' ' 31' ' ' LYS . 3.3 mp -106.58 115.63 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 120.772 -1.205 . . . . 0.0 108.613 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.614 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . 16.2 p90 -120.36 143.11 48.58 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.318 -0.864 . . . . 0.0 110.631 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.614 ' O ' ' HA ' ' A' ' 24' ' ' LEU . 1.3 tm0? -122.75 135.86 54.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.194 -0.941 . . . . 0.0 110.212 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.667 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 98.1 mt -115.39 153.43 47.57 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.895 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 37.3 Cg_endo -82.62 -35.15 0.33 Allowed 'Trans proline' 0 CA--C 1.549 1.232 0 C-N-CA 121.613 1.542 . . . . 0.0 111.591 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.706 ' NE1' ' HB2' ' A' ' 107' ' ' ARG . 44.1 m95 71.7 179.07 0.24 Allowed 'General case' 0 N--CA 1.514 2.749 0 O-C-N 121.248 -0.908 . . . . 0.0 111.321 177.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.476 ' HE2' ' HB2' ' A' ' 39' ' ' MET . 0.0 OUTLIER -101.33 46.06 0.95 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.222 -0.924 . . . . 0.0 109.045 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -46.57 -30.12 2.12 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.035 -1.041 . . . . 0.0 110.016 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.21 -66.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.847 -0.533 . . . . 0.0 110.413 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.633 ' HB2' ' HB ' ' A' ' 48' ' ' VAL . . . -93.15 102.01 14.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.234 -0.916 . . . . 0.0 110.195 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -6.03 41.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.618 -0.676 . . . . 0.0 110.784 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.655 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -128.09 -80.01 0.58 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.275 -0.891 . . . . 0.0 110.395 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -163.82 76.17 0.16 Allowed Glycine 0 N--CA 1.503 3.156 0 C-N-CA 120.016 -1.088 . . . . 0.0 111.731 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.655 ' CZ2' ' HB2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -149.77 -89.86 0.07 Allowed 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.809 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.593 ' N ' ' HB1' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -77.29 53.23 0.99 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.438 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.633 ' HB ' ' HB2' ' A' ' 42' ' ' ALA . 13.0 p -120.55 39.44 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 CA-C-O 121.575 0.703 . . . . 0.0 110.834 -177.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.515 ' HA ' ' HB1' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -93.55 -15.29 25.6 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.064 -1.023 . . . . 0.0 110.779 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -49.58 75.91 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.579 -0.701 . . . . 0.0 110.632 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.632 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -115.09 11.25 16.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.741 -0.6 . . . . 0.0 110.787 -179.317 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.701 ' N ' ' HD2' ' A' ' 53' ' ' PRO . . . -59.73 -34.22 20.46 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.404 -0.81 . . . . 0.0 112.171 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.701 ' HD2' ' N ' ' A' ' 52' ' ' ALA . 23.8 Cg_endo -62.71 -33.59 76.36 Favored 'Trans proline' 0 N--CA 1.48 0.717 0 N-CA-C 109.222 -1.107 . . . . 0.0 109.222 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.42 ' HB3' ' CZ3' ' A' ' 58' ' ' TRP . 11.0 mp -80.47 -67.57 0.76 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.587 ' O ' ' HB2' ' A' ' 58' ' ' TRP . 1.3 m-85 -37.15 -47.42 0.77 Allowed 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.449 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -68.52 -44.18 75.16 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.452 -0.78 . . . . 0.0 109.777 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.47 ' ND2' ' CZ2' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -56.58 -28.93 61.43 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.803 -0.561 . . . . 0.0 109.794 179.253 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.587 ' HB2' ' O ' ' A' ' 55' ' ' PHE . 0.9 OUTLIER -43.68 -49.18 7.86 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 121.596 -0.69 . . . . 0.0 110.525 179.011 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.492 ' CB ' ' HB3' ' A' ' 65' ' ' HIS . . . -55.54 -42.26 74.36 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.972 -0.455 . . . . 0.0 110.995 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.402 HD11 HG21 ' A' ' 60' ' ' ILE . 9.1 mm -87.22 -43.15 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.752 -0.592 . . . . 0.0 109.989 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.439 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 14.9 t60 -66.89 -43.9 82.22 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.455 -0.778 . . . . 0.0 110.454 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 p -86.2 11.73 11.33 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.123 -0.986 . . . . 0.0 110.569 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.54 62.81 5.67 Favored Glycine 0 N--CA 1.503 3.151 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.47 -39.04 2.21 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.48 -1.012 . . . . 0.0 111.206 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.492 ' HB3' ' CB ' ' A' ' 59' ' ' ALA . 9.2 t60 -125.39 146.21 49.7 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.233 -0.917 . . . . 0.0 109.833 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.64 129.21 25.12 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.636 -0.665 . . . . 0.0 109.82 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -74.15 109.18 2.83 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 122.705 2.27 . . . . 0.0 110.493 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.78 -13.33 20.2 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 mp -121.01 -50.18 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.441 -1.034 . . . . 0.0 110.396 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -112.46 -178.33 3.38 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.089 -1.007 . . . . 0.0 110.996 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 131.23 41.44 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.498 -0.751 . . . . 0.0 110.469 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.548 ' O ' ' HD3' ' A' ' 74' ' ' PRO . 36.5 Cg_endo -78.4 73.04 6.03 Favored 'Trans proline' 0 C--N 1.316 -1.138 0 C-N-CA 122.724 2.283 . . . . 0.0 110.205 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -86.41 108.96 19.87 Favored Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.559 -0.713 . . . . 0.0 110.107 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' ' 72' ' ' PRO . 36.3 Cg_endo -75.61 -23.77 12.52 Favored 'Trans proline' 0 C--N 1.319 -1.026 0 C-N-CA 122.246 1.964 . . . . 0.0 110.698 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -54.26 -52.26 61.95 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.57 -0.706 . . . . 0.0 109.319 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.4 m -68.93 -35.25 76.59 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.667 -0.646 . . . . 0.0 109.398 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.511 ' CE3' ' HA ' ' A' ' 74' ' ' PRO . 54.5 m0 -55.77 -37.65 68.83 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.586 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 5.4 ttpt -56.96 -49.95 74.12 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.46 99.48 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.56 ' HB3' ' HD1' ' A' ' 58' ' ' TRP . 4.5 m-80 -50.97 -42.21 59.94 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.609 -0.682 . . . . 0.0 109.743 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.511 ' HA ' ' NE1' ' A' ' 58' ' ' TRP . 1.7 t80 -59.2 -46.09 89.36 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.473 -0.767 . . . . 0.0 109.971 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -63.71 -37.34 86.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.553 -0.717 . . . . 0.0 111.136 -179.153 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 11.6 m -57.23 -41.97 80.53 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.436 -0.79 . . . . 0.0 109.382 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.464 ' HB2' ' SD ' ' A' ' 8' ' ' MET . . . -57.36 -39.62 76.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.758 -0.589 . . . . 0.0 109.496 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.561 ' SD ' ' HH2' ' A' ' 38' ' ' TRP . 7.1 mmt -64.42 -33.28 75.51 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.557 -0.714 . . . . 0.0 109.877 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -85.47 9.81 14.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.419 -0.801 . . . . 0.0 108.894 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -114.97 -158.27 0.66 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.375 -0.828 . . . . 0.0 110.063 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.635 HD12 HG23 ' A' ' 91' ' ' ILE . 0.0 OUTLIER 34.35 93.57 0.05 OUTLIER Pre-proline 0 N--CA 1.512 2.635 0 CA-C-O 120.817 0.342 . . . . 0.0 110.554 -178.135 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -66.68 44.76 0.21 Allowed 'Trans proline' 0 N--CA 1.487 1.099 0 C-N-CA 122.325 2.016 . . . . 0.0 112.197 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' A' ' 111' ' ' MET . 2.0 p30 -148.08 12.6 0.97 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.635 HG23 HD12 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -109.53 135.76 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.054 -1.029 . . . . 0.0 109.53 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 3.0 tt0 -121.52 106.29 11.26 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.649 ' HB3' ' CE2' ' A' ' 109' ' ' TYR . 3.7 pt-20 -84.36 133.59 34.52 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 121.993 0.901 . . . . 0.0 111.707 -177.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 50.4 t -138.82 103.72 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.822 -0.549 . . . . 0.0 109.726 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.514 ' HB3' ' HG2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -107.99 15.9 23.92 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.483 -0.761 . . . . 0.0 110.537 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 t70 68.94 174.56 0.29 Allowed 'General case' 0 N--CA 1.507 2.381 0 CA-C-O 121.6 0.714 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.99 -52.93 0.63 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.128 -0.982 . . . . 0.0 109.676 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.13 33.71 1.35 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.284 -0.885 . . . . 0.0 111.236 -179.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.5 mp -132.46 -77.06 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.851 -1.155 . . . . 0.0 110.008 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -76.59 69.48 3.01 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-O 121.777 0.799 . . . . 0.0 109.174 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 55.81 1.88 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.599 -0.688 . . . . 0.0 109.586 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -163.35 51.2 0.3 Allowed Glycine 0 N--CA 1.499 2.843 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -173.09 -57.65 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.761 -0.846 . . . . 0.0 109.582 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -145.71 -52.21 0.25 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.795 -0.566 . . . . 0.0 109.658 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.61 63.81 0.84 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 121.926 0.87 . . . . 0.0 109.347 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.895 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -91.18 -164.43 1.18 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.534 -0.729 . . . . 0.0 110.227 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.706 ' HB2' ' NE1' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -118.87 107.39 13.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.039 -1.038 . . . . 0.0 109.331 179.447 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.575 ' CG1' HD13 ' A' ' 27' ' ' LEU . 55.0 t -83.21 121.15 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.649 ' CE2' ' HB3' ' A' ' 93' ' ' GLU . 12.0 m-85 -113.67 120.89 42.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.376 -0.828 . . . . 0.0 110.671 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 13.5 mtp180 -90.38 116.88 28.67 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.53 ' HA ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -104.75 130.23 52.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.707 -0.621 . . . . 0.0 110.387 -178.748 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.708 ' HB3' ' HD2' ' A' ' 113' ' ' PRO . 13.1 mt -84.27 -176.8 0.84 Allowed Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.032 -1.042 . . . . 0.0 108.238 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.708 ' HD2' ' HB3' ' A' ' 112' ' ' LEU . 30.8 Cg_endo . . . . . 0 C--N 1.321 -0.88 0 C-N-CA 121.623 1.549 . . . . 0.0 111.573 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.501 1.915 0 N-CA-C 110.196 -0.732 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.8 m -107.19 68.68 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.806 . . . . 0.0 109.334 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.47 171.0 10.04 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.327 -0.858 . . . . 0.0 110.712 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.09 83.78 2.18 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 122.07 0.938 . . . . 0.0 110.038 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.59 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 2.0 mmm -65.21 -20.92 66.66 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.255 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.62 ' HB3' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER 80.67 125.74 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.243 0 CA-C-O 122.063 0.935 . . . . 0.0 110.164 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.76 ' SD ' ' HB1' ' A' ' 84' ' ' ALA . 3.1 ttt -63.57 -45.91 88.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.814 -0.554 . . . . 0.0 110.915 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 5.9 mtp180 -46.38 -56.73 10.18 Favored Pre-proline 0 N--CA 1.511 2.61 0 O-C-N 121.402 -0.811 . . . . 0.0 111.649 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.62 ' CD ' ' HB3' ' A' ' 7' ' ' ARG . 30.6 Cg_endo -71.19 -36.93 6.52 Favored 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 121.723 1.615 . . . . 0.0 110.004 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CZ3' ' HG3' ' A' ' 15' ' ' GLN . 60.5 t90 -54.48 -44.18 72.39 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.536 HD12 ' HE3' ' A' ' 11' ' ' TRP . 0.6 OUTLIER -72.34 -47.27 50.91 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.301 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' HA ' ' HZ2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -50.09 -37.91 35.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.13 -61.5 1.77 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.852 -0.53 . . . . 0.0 109.822 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 75.6 mm-40 -49.61 -45.74 48.51 Favored 'General case' 0 N--CA 1.51 2.543 0 O-C-N 121.23 -0.919 . . . . 0.0 109.982 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.608 HG22 ' CD1' ' A' ' 26' ' ' TRP . 31.3 mt -62.46 -49.22 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -61.0 -45.83 93.22 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.598 -0.689 . . . . 0.0 110.275 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 m -70.13 -25.4 63.46 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.688 -0.632 . . . . 0.0 110.578 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 63.78 60.18 1.08 Allowed 'General case' 0 N--CA 1.5 2.065 0 CA-C-O 121.668 0.747 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.673 HG23 HG12 ' A' ' 21' ' ' ILE . 7.7 t -79.44 -29.89 42.01 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.369 -0.832 . . . . 0.0 110.668 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.673 HG12 HG23 ' A' ' 20' ' ' THR . 9.7 mm -107.22 131.39 21.74 Favored Pre-proline 0 N--CA 1.502 2.153 0 O-C-N 121.043 -1.036 . . . . 0.0 108.99 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -68.3 78.94 0.61 Allowed 'Trans proline' 0 C--N 1.322 -0.842 0 C-N-CA 122.529 2.152 . . . . 0.0 110.145 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.92 -39.12 0.78 Allowed Glycine 0 N--CA 1.495 2.611 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -79.18 126.13 30.34 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.663 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -178.67 168.57 1.73 Allowed 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 119.337 -0.945 . . . . 0.0 111.701 -178.415 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CE3' ' HB3' ' A' ' 34' ' ' PHE . 87.8 m95 -74.88 120.96 21.14 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.031 HD21 ' HB3' ' A' ' 35' ' ' GLN . 4.4 mt -80.35 -34.59 36.41 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 176.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.46 ' HB3' HD13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -144.12 76.32 1.5 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 178.19 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -58.91 -28.95 66.69 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.473 -0.767 . . . . 0.0 110.613 -178.067 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' CD ' ' HG3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -55.33 -48.41 74.21 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.323 -0.861 . . . . 0.0 108.814 179.167 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.679 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . 3.2 mtmm -93.61 6.33 48.65 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.217 -0.927 . . . . 0.0 109.403 178.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 111' ' ' MET . 18.5 mtpt 68.49 52.84 0.59 Allowed 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.707 0.765 . . . . 0.0 111.797 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.679 ' CD1' ' HB2' ' A' ' 31' ' ' LYS . 3.3 mp -106.58 115.63 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 120.772 -1.205 . . . . 0.0 108.613 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.624 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . 16.2 p90 -120.36 143.11 48.58 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.318 -0.864 . . . . 0.0 110.631 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 1.031 ' HB3' HD21 ' A' ' 27' ' ' LEU . 1.3 tm0? -122.75 135.86 54.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.194 -0.941 . . . . 0.0 110.212 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.678 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 98.1 mt -115.39 153.43 47.57 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.962 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 37.3 Cg_endo -82.62 -35.15 0.33 Allowed 'Trans proline' 0 CA--C 1.549 1.232 0 C-N-CA 121.613 1.542 . . . . 0.0 111.591 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.74 ' NE1' ' HB2' ' A' ' 107' ' ' ARG . 44.1 m95 71.7 179.07 0.24 Allowed 'General case' 0 N--CA 1.514 2.749 0 O-C-N 121.248 -0.908 . . . . 0.0 111.321 177.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.803 ' HB3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -101.33 46.06 0.95 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.222 -0.924 . . . . 0.0 109.045 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -46.57 -30.12 2.12 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.035 -1.041 . . . . 0.0 110.016 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.21 -66.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.847 -0.533 . . . . 0.0 110.413 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.618 ' HB2' ' N ' ' A' ' 47' ' ' ASP . . . -93.15 102.01 14.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.234 -0.916 . . . . 0.0 110.195 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -6.03 41.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.618 -0.676 . . . . 0.0 110.784 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.689 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -128.09 -80.01 0.58 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.275 -0.891 . . . . 0.0 110.395 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -163.82 76.17 0.16 Allowed Glycine 0 N--CA 1.503 3.156 0 C-N-CA 120.016 -1.088 . . . . 0.0 111.731 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.689 ' CZ2' ' HB2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -149.77 -89.86 0.07 Allowed 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.809 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.618 ' N ' ' HB2' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -77.29 53.23 0.99 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.438 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.803 HG23 ' HB3' ' A' ' 39' ' ' MET . 13.0 p -120.55 39.44 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 CA-C-O 121.575 0.703 . . . . 0.0 110.834 -177.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.55 -15.29 25.6 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.064 -1.023 . . . . 0.0 110.779 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -57.56 -49.58 75.91 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.579 -0.701 . . . . 0.0 110.632 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.65 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -115.09 11.25 16.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.741 -0.6 . . . . 0.0 110.787 -179.317 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -59.73 -34.22 20.46 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.404 -0.81 . . . . 0.0 112.171 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.729 ' HD2' ' N ' ' A' ' 52' ' ' ALA . 23.8 Cg_endo -62.71 -33.59 76.36 Favored 'Trans proline' 0 N--CA 1.48 0.717 0 N-CA-C 109.222 -1.107 . . . . 0.0 109.222 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.548 ' CD1' HD11 ' A' ' 21' ' ' ILE . 11.0 mp -80.47 -67.57 0.76 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 78' ' ' LYS . 1.3 m-85 -37.15 -47.42 0.77 Allowed 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.449 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.451 ' NH2' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -68.52 -44.18 75.16 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.452 -0.78 . . . . 0.0 109.777 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.47 ' ND2' ' CZ2' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -56.58 -28.93 61.43 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.803 -0.561 . . . . 0.0 109.794 179.253 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.599 ' HB2' ' O ' ' A' ' 55' ' ' PHE . 0.9 OUTLIER -43.68 -49.18 7.86 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 121.596 -0.69 . . . . 0.0 110.525 179.011 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 1.004 ' HB1' ' HB3' ' A' ' 65' ' ' HIS . . . -55.54 -42.26 74.36 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.972 -0.455 . . . . 0.0 110.995 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 mm -87.22 -43.15 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.752 -0.592 . . . . 0.0 109.989 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.467 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 14.9 t60 -66.89 -43.9 82.22 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.455 -0.778 . . . . 0.0 110.454 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 p -86.2 11.73 11.33 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.123 -0.986 . . . . 0.0 110.569 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.54 62.81 5.67 Favored Glycine 0 N--CA 1.503 3.151 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.47 -39.04 2.21 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.48 -1.012 . . . . 0.0 111.206 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 1.004 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 9.2 t60 -125.39 146.21 49.7 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.233 -0.917 . . . . 0.0 109.833 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -122.64 129.21 25.12 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.636 -0.665 . . . . 0.0 109.82 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -74.15 109.18 2.83 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 122.705 2.27 . . . . 0.0 110.493 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.78 -13.33 20.2 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.1 mp -121.01 -50.18 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.441 -1.034 . . . . 0.0 110.396 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' OD1' ' NZ ' ' A' ' 71' ' ' LYS . 1.3 t0 -112.46 -178.33 3.38 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.089 -1.007 . . . . 0.0 110.996 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -89.18 131.23 41.44 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.498 -0.751 . . . . 0.0 110.469 -179.35 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' O ' ' HD3' ' A' ' 74' ' ' PRO . 36.5 Cg_endo -78.4 73.04 6.03 Favored 'Trans proline' 0 C--N 1.316 -1.138 0 C-N-CA 122.724 2.283 . . . . 0.0 110.205 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.412 ' OD1' ' NZ ' ' A' ' 75' ' ' LYS . 22.7 t70 -86.41 108.96 19.87 Favored Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.559 -0.713 . . . . 0.0 110.107 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.564 ' HD3' ' O ' ' A' ' 72' ' ' PRO . 36.3 Cg_endo -75.61 -23.77 12.52 Favored 'Trans proline' 0 C--N 1.319 -1.026 0 C-N-CA 122.246 1.964 . . . . 0.0 110.698 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' NZ ' ' OD1' ' A' ' 73' ' ' ASP . 31.8 mtmm -54.26 -52.26 61.95 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.57 -0.706 . . . . 0.0 109.319 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.4 m -68.93 -35.25 76.59 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.667 -0.646 . . . . 0.0 109.398 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.634 ' CE2' ' HB2' ' A' ' 59' ' ' ALA . 54.5 m0 -55.77 -37.65 68.83 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.602 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 5.4 ttpt -56.96 -49.95 74.12 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.46 99.48 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.587 ' HB3' ' HD1' ' A' ' 58' ' ' TRP . 4.5 m-80 -50.97 -42.21 59.94 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.609 -0.682 . . . . 0.0 109.743 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.525 ' HA ' ' NE1' ' A' ' 58' ' ' TRP . 1.7 t80 -59.2 -46.09 89.36 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.473 -0.767 . . . . 0.0 109.971 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -63.71 -37.34 86.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.553 -0.717 . . . . 0.0 111.136 -179.153 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 11.6 m -57.23 -41.97 80.53 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.436 -0.79 . . . . 0.0 109.382 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.76 ' HB1' ' SD ' ' A' ' 8' ' ' MET . . . -57.36 -39.62 76.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.758 -0.589 . . . . 0.0 109.496 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.564 ' SD ' ' HH2' ' A' ' 38' ' ' TRP . 7.1 mmt -64.42 -33.28 75.51 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.557 -0.714 . . . . 0.0 109.877 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -85.47 9.81 14.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.419 -0.801 . . . . 0.0 108.894 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -114.97 -158.27 0.66 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.375 -0.828 . . . . 0.0 110.063 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.809 HD13 HG21 ' A' ' 91' ' ' ILE . 0.0 OUTLIER 34.35 93.57 0.05 OUTLIER Pre-proline 0 N--CA 1.512 2.635 0 CA-C-O 120.817 0.342 . . . . 0.0 110.554 -178.135 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -66.68 44.76 0.21 Allowed 'Trans proline' 0 N--CA 1.487 1.099 0 C-N-CA 122.325 2.016 . . . . 0.0 112.197 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.548 ' O ' ' HA ' ' A' ' 111' ' ' MET . 2.0 p30 -148.08 12.6 0.97 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.809 HG21 HD13 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -109.53 135.76 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.054 -1.029 . . . . 0.0 109.53 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 3.0 tt0 -121.52 106.29 11.26 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.67 ' HB2' ' CZ ' ' A' ' 109' ' ' TYR . 3.7 pt-20 -84.36 133.59 34.52 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 121.993 0.901 . . . . 0.0 111.707 -177.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 50.4 t -138.82 103.72 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.822 -0.549 . . . . 0.0 109.726 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.545 ' HB3' ' HG2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -107.99 15.9 23.92 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.483 -0.761 . . . . 0.0 110.537 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.493 ' O ' ' NZ ' ' A' ' 95' ' ' LYS . 3.5 t70 68.94 174.56 0.29 Allowed 'General case' 0 N--CA 1.507 2.381 0 CA-C-O 121.6 0.714 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.422 HH21 ' HG ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -137.99 -52.93 0.63 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.128 -0.982 . . . . 0.0 109.676 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.422 ' HG ' HH21 ' A' ' 97' ' ' ARG . 0.4 OUTLIER -143.13 33.71 1.35 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.284 -0.885 . . . . 0.0 111.236 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.5 mp -132.46 -77.06 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.851 -1.155 . . . . 0.0 110.008 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -76.59 69.48 3.01 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-O 121.777 0.799 . . . . 0.0 109.174 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 55.81 1.88 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.599 -0.688 . . . . 0.0 109.586 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -163.35 51.2 0.3 Allowed Glycine 0 N--CA 1.499 2.843 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -173.09 -57.65 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.761 -0.846 . . . . 0.0 109.582 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -145.71 -52.21 0.25 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.795 -0.566 . . . . 0.0 109.658 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.61 63.81 0.84 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 121.926 0.87 . . . . 0.0 109.347 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.962 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -91.18 -164.43 1.18 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.534 -0.729 . . . . 0.0 110.227 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.74 ' HB2' ' NE1' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -118.87 107.39 13.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.039 -1.038 . . . . 0.0 109.331 179.447 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.656 HG22 HD11 ' A' ' 27' ' ' LEU . 55.0 t -83.21 121.15 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.67 ' CZ ' ' HB2' ' A' ' 93' ' ' GLU . 12.0 m-85 -113.67 120.89 42.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.376 -0.828 . . . . 0.0 110.671 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 13.5 mtp180 -90.38 116.88 28.67 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.548 ' HA ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -104.75 130.23 52.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.707 -0.621 . . . . 0.0 110.387 -178.748 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.77 ' HB3' ' HD2' ' A' ' 113' ' ' PRO . 13.1 mt -84.27 -176.8 0.84 Allowed Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.032 -1.042 . . . . 0.0 108.238 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.77 ' HD2' ' HB3' ' A' ' 112' ' ' LEU . 30.8 Cg_endo . . . . . 0 C--N 1.321 -0.88 0 C-N-CA 121.623 1.549 . . . . 0.0 111.573 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo . . . . . 0 N--CA 1.501 1.915 0 N-CA-C 110.196 -0.732 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.8 m -107.19 68.68 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.411 -0.806 . . . . 0.0 109.334 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.47 171.0 10.04 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.327 -0.858 . . . . 0.0 110.712 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.09 83.78 2.18 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-O 122.07 0.938 . . . . 0.0 110.038 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.59 ' O ' ' HB2' ' A' ' 7' ' ' ARG . 2.0 mmm -65.21 -20.92 66.66 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.255 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.62 ' HB3' ' CD ' ' A' ' 10' ' ' PRO . 0.4 OUTLIER 80.67 125.74 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.243 0 CA-C-O 122.063 0.935 . . . . 0.0 110.164 -179.752 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.76 ' SD ' ' HB1' ' A' ' 84' ' ' ALA . 3.1 ttt -63.57 -45.91 88.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.814 -0.554 . . . . 0.0 110.915 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 5.9 mtp180 -46.38 -56.73 10.18 Favored Pre-proline 0 N--CA 1.511 2.61 0 O-C-N 121.402 -0.811 . . . . 0.0 111.649 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.62 ' CD ' ' HB3' ' A' ' 7' ' ' ARG . 30.6 Cg_endo -71.19 -36.93 6.52 Favored 'Trans proline' 0 C--N 1.322 -0.832 0 C-N-CA 121.723 1.615 . . . . 0.0 110.004 178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CZ3' ' HG3' ' A' ' 15' ' ' GLN . 60.5 t90 -54.48 -44.18 72.39 Favored 'General case' 0 N--CA 1.502 2.173 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.536 HD12 ' HE3' ' A' ' 11' ' ' TRP . 0.6 OUTLIER -72.34 -47.27 50.91 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 179.301 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' HA ' ' HZ2' ' A' ' 26' ' ' TRP . 0.6 OUTLIER -50.09 -37.91 35.99 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.13 -61.5 1.77 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.852 -0.53 . . . . 0.0 109.822 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HG3' ' CZ3' ' A' ' 11' ' ' TRP . 75.6 mm-40 -49.61 -45.74 48.51 Favored 'General case' 0 N--CA 1.51 2.543 0 O-C-N 121.23 -0.919 . . . . 0.0 109.982 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.608 HG22 ' CD1' ' A' ' 26' ' ' TRP . 31.3 mt -62.46 -49.22 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -61.0 -45.83 93.22 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.598 -0.689 . . . . 0.0 110.275 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 m -70.13 -25.4 63.46 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.688 -0.632 . . . . 0.0 110.578 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 63.78 60.18 1.08 Allowed 'General case' 0 N--CA 1.5 2.065 0 CA-C-O 121.668 0.747 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.673 HG23 HG12 ' A' ' 21' ' ' ILE . 7.7 t -79.44 -29.89 42.01 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.369 -0.832 . . . . 0.0 110.668 -179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.673 HG12 HG23 ' A' ' 20' ' ' THR . 9.7 mm -107.22 131.39 21.74 Favored Pre-proline 0 N--CA 1.502 2.153 0 O-C-N 121.043 -1.036 . . . . 0.0 108.99 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -68.3 78.94 0.61 Allowed 'Trans proline' 0 C--N 1.322 -0.842 0 C-N-CA 122.529 2.152 . . . . 0.0 110.145 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.92 -39.12 0.78 Allowed Glycine 0 N--CA 1.495 2.611 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -79.18 126.13 30.34 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.663 ' N ' HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -178.67 168.57 1.73 Allowed 'General case' 0 N--CA 1.506 2.331 0 C-N-CA 119.337 -0.945 . . . . 0.0 111.701 -178.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.624 ' CE3' ' HB3' ' A' ' 34' ' ' PHE . 87.8 m95 -74.88 120.96 21.14 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.031 HD21 ' HB3' ' A' ' 35' ' ' GLN . 4.4 mt -80.35 -34.59 36.41 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 176.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.46 ' HB3' HD13 ' A' ' 33' ' ' ILE . 0.4 OUTLIER -144.12 76.32 1.5 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 178.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -58.91 -28.95 66.69 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.473 -0.767 . . . . 0.0 110.613 -178.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' CD ' ' HG3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -55.33 -48.41 74.21 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.323 -0.861 . . . . 0.0 108.814 179.167 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.679 ' HB2' ' CD1' ' A' ' 33' ' ' ILE . 3.2 mtmm -93.61 6.33 48.65 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.217 -0.927 . . . . 0.0 109.403 178.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 111' ' ' MET . 18.5 mtpt 68.49 52.84 0.59 Allowed 'General case' 0 N--CA 1.5 2.063 0 CA-C-O 121.707 0.765 . . . . 0.0 111.797 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.679 ' CD1' ' HB2' ' A' ' 31' ' ' LYS . 3.3 mp -106.58 115.63 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 O-C-N 120.772 -1.205 . . . . 0.0 108.613 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.624 ' HB3' ' CE3' ' A' ' 26' ' ' TRP . 16.2 p90 -120.36 143.11 48.58 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.318 -0.864 . . . . 0.0 110.631 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 1.031 ' HB3' HD21 ' A' ' 27' ' ' LEU . 1.3 tm0? -122.75 135.86 54.69 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.194 -0.941 . . . . 0.0 110.212 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.678 ' CG2' ' HD2' ' A' ' 37' ' ' PRO . 98.1 mt -115.39 153.43 47.57 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.962 ' HA ' ' HB3' ' A' ' 106' ' ' PHE . 37.3 Cg_endo -82.62 -35.15 0.33 Allowed 'Trans proline' 0 CA--C 1.549 1.232 0 C-N-CA 121.613 1.542 . . . . 0.0 111.591 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.74 ' NE1' ' HB2' ' A' ' 107' ' ' ARG . 44.1 m95 71.7 179.07 0.24 Allowed 'General case' 0 N--CA 1.514 2.749 0 O-C-N 121.248 -0.908 . . . . 0.0 111.321 177.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.803 ' HB3' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -101.33 46.06 0.95 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.222 -0.924 . . . . 0.0 109.045 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -46.57 -30.12 2.12 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.035 -1.041 . . . . 0.0 110.016 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.21 -66.14 0.64 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.847 -0.533 . . . . 0.0 110.413 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.618 ' HB2' ' N ' ' A' ' 47' ' ' ASP . . . -93.15 102.01 14.31 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.234 -0.916 . . . . 0.0 110.195 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -6.03 41.17 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.618 -0.676 . . . . 0.0 110.784 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.689 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . 0.2 OUTLIER -128.09 -80.01 0.58 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.275 -0.891 . . . . 0.0 110.395 179.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -163.82 76.17 0.16 Allowed Glycine 0 N--CA 1.503 3.156 0 C-N-CA 120.016 -1.088 . . . . 0.0 111.731 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.689 ' CZ2' ' HB2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -149.77 -89.86 0.07 Allowed 'General case' 0 N--CA 1.51 2.537 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.809 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.618 ' N ' ' HB2' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -77.29 53.23 0.99 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.438 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.803 HG23 ' HB3' ' A' ' 39' ' ' MET . 13.0 p -120.55 39.44 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 CA-C-O 121.575 0.703 . . . . 0.0 110.834 -177.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.55 -15.29 25.6 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.064 -1.023 . . . . 0.0 110.779 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -57.56 -49.58 75.91 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.579 -0.701 . . . . 0.0 110.632 -179.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.65 ' C ' ' HD2' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -115.09 11.25 16.34 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.741 -0.6 . . . . 0.0 110.787 -179.317 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 48' ' ' VAL . . . -59.73 -34.22 20.46 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.404 -0.81 . . . . 0.0 112.171 179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.729 ' HD2' ' N ' ' A' ' 52' ' ' ALA . 23.8 Cg_endo -62.71 -33.59 76.36 Favored 'Trans proline' 0 N--CA 1.48 0.717 0 N-CA-C 109.222 -1.107 . . . . 0.0 109.222 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.548 ' CD1' HD11 ' A' ' 21' ' ' ILE . 11.0 mp -80.47 -67.57 0.76 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 176.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.602 ' CE1' ' HA ' ' A' ' 78' ' ' LYS . 1.3 m-85 -37.15 -47.42 0.77 Allowed 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.449 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.451 ' NH2' ' HB3' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -68.52 -44.18 75.16 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.452 -0.78 . . . . 0.0 109.777 -179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.47 ' ND2' ' CZ2' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -56.58 -28.93 61.43 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.803 -0.561 . . . . 0.0 109.794 179.253 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.599 ' HB2' ' O ' ' A' ' 55' ' ' PHE . 0.9 OUTLIER -43.68 -49.18 7.86 Favored 'General case' 0 N--CA 1.512 2.631 0 O-C-N 121.596 -0.69 . . . . 0.0 110.525 179.011 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 1.004 ' HB1' ' HB3' ' A' ' 65' ' ' HIS . . . -55.54 -42.26 74.36 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.972 -0.455 . . . . 0.0 110.995 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.1 mm -87.22 -43.15 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.752 -0.592 . . . . 0.0 109.989 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.467 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 14.9 t60 -66.89 -43.9 82.22 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.455 -0.778 . . . . 0.0 110.454 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.1 p -86.2 11.73 11.33 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.123 -0.986 . . . . 0.0 110.569 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 53.54 62.81 5.67 Favored Glycine 0 N--CA 1.503 3.151 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.47 -39.04 2.21 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.48 -1.012 . . . . 0.0 111.206 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 1.004 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 9.2 t60 -125.39 146.21 49.7 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.233 -0.917 . . . . 0.0 109.833 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.417 ' NE2' HD13 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -122.64 129.21 25.12 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.636 -0.665 . . . . 0.0 109.82 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -74.15 109.18 2.83 Favored 'Trans proline' 0 C--N 1.319 -1.023 0 C-N-CA 122.705 2.27 . . . . 0.0 110.493 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.78 -13.33 20.2 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 110.205 -1.158 . . . . 0.0 110.205 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.417 HD13 ' NE2' ' A' ' 66' ' ' GLN . 2.1 mp -121.01 -50.18 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.441 -1.034 . . . . 0.0 110.396 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.411 ' OD1' ' NZ ' ' A' ' 71' ' ' LYS . 1.3 t0 -112.46 -178.33 3.38 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.089 -1.007 . . . . 0.0 110.996 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -89.18 131.23 41.44 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.498 -0.751 . . . . 0.0 110.469 -179.35 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' O ' ' HD3' ' A' ' 74' ' ' PRO . 36.5 Cg_endo -78.4 73.04 6.03 Favored 'Trans proline' 0 C--N 1.316 -1.138 0 C-N-CA 122.724 2.283 . . . . 0.0 110.205 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.412 ' OD1' ' NZ ' ' A' ' 75' ' ' LYS . 22.7 t70 -86.41 108.96 19.87 Favored Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.559 -0.713 . . . . 0.0 110.107 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.564 ' HD3' ' O ' ' A' ' 72' ' ' PRO . 36.3 Cg_endo -75.61 -23.77 12.52 Favored 'Trans proline' 0 C--N 1.319 -1.026 0 C-N-CA 122.246 1.964 . . . . 0.0 110.698 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' NZ ' ' OD1' ' A' ' 73' ' ' ASP . 31.8 mtmm -54.26 -52.26 61.95 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.57 -0.706 . . . . 0.0 109.319 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.4 m -68.93 -35.25 76.59 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.667 -0.646 . . . . 0.0 109.398 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.634 ' CE2' ' HB2' ' A' ' 59' ' ' ALA . 54.5 m0 -55.77 -37.65 68.83 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.602 ' HA ' ' CE1' ' A' ' 55' ' ' PHE . 5.4 ttpt -56.96 -49.95 74.12 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.46 99.48 Favored 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.587 ' HB3' ' HD1' ' A' ' 58' ' ' TRP . 4.5 m-80 -50.97 -42.21 59.94 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.609 -0.682 . . . . 0.0 109.743 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.525 ' HA ' ' NE1' ' A' ' 58' ' ' TRP . 1.7 t80 -59.2 -46.09 89.36 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.473 -0.767 . . . . 0.0 109.971 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 85' ' ' MET . 0.0 OUTLIER -63.71 -37.34 86.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.553 -0.717 . . . . 0.0 111.136 -179.153 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 11.6 m -57.23 -41.97 80.53 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.436 -0.79 . . . . 0.0 109.382 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.76 ' HB1' ' SD ' ' A' ' 8' ' ' MET . . . -57.36 -39.62 76.36 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.758 -0.589 . . . . 0.0 109.496 179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.564 ' SD ' ' HH2' ' A' ' 38' ' ' TRP . 7.1 mmt -64.42 -33.28 75.51 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.557 -0.714 . . . . 0.0 109.877 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -85.47 9.81 14.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.419 -0.801 . . . . 0.0 108.894 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.0 t -114.97 -158.27 0.66 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.375 -0.828 . . . . 0.0 110.063 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.809 HD13 HG21 ' A' ' 91' ' ' ILE . 0.0 OUTLIER 34.35 93.57 0.05 OUTLIER Pre-proline 0 N--CA 1.512 2.635 0 CA-C-O 120.817 0.342 . . . . 0.0 110.554 -178.135 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -66.68 44.76 0.21 Allowed 'Trans proline' 0 N--CA 1.487 1.099 0 C-N-CA 122.325 2.016 . . . . 0.0 112.197 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.548 ' O ' ' HA ' ' A' ' 111' ' ' MET . 2.0 p30 -148.08 12.6 0.97 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.809 HG21 HD13 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -109.53 135.76 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.054 -1.029 . . . . 0.0 109.53 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 109' ' ' TYR . 3.0 tt0 -121.52 106.29 11.26 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.67 ' HB2' ' CZ ' ' A' ' 109' ' ' TYR . 3.7 pt-20 -84.36 133.59 34.52 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 121.993 0.901 . . . . 0.0 111.707 -177.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 50.4 t -138.82 103.72 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.822 -0.549 . . . . 0.0 109.726 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.545 ' HB3' ' HG2' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -107.99 15.9 23.92 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.483 -0.761 . . . . 0.0 110.537 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.493 ' O ' ' NZ ' ' A' ' 95' ' ' LYS . 3.5 t70 68.94 174.56 0.29 Allowed 'General case' 0 N--CA 1.507 2.381 0 CA-C-O 121.6 0.714 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.422 HH21 ' HG ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -137.99 -52.93 0.63 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.128 -0.982 . . . . 0.0 109.676 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.422 ' HG ' HH21 ' A' ' 97' ' ' ARG . 0.4 OUTLIER -143.13 33.71 1.35 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.284 -0.885 . . . . 0.0 111.236 -179.023 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.5 mp -132.46 -77.06 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.851 -1.155 . . . . 0.0 110.008 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -76.59 69.48 3.01 Favored 'General case' 0 N--CA 1.502 2.132 0 CA-C-O 121.777 0.799 . . . . 0.0 109.174 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.34 55.81 1.88 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.599 -0.688 . . . . 0.0 109.586 -178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -163.35 51.2 0.3 Allowed Glycine 0 N--CA 1.499 2.843 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -173.09 -57.65 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.761 -0.846 . . . . 0.0 109.582 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -145.71 -52.21 0.25 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.795 -0.566 . . . . 0.0 109.658 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.61 63.81 0.84 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 121.926 0.87 . . . . 0.0 109.347 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.962 ' HB3' ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -91.18 -164.43 1.18 Allowed 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.534 -0.729 . . . . 0.0 110.227 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.74 ' HB2' ' NE1' ' A' ' 38' ' ' TRP . 0.2 OUTLIER -118.87 107.39 13.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.039 -1.038 . . . . 0.0 109.331 179.447 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.656 HG22 HD11 ' A' ' 27' ' ' LEU . 55.0 t -83.21 121.15 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.67 ' CZ ' ' HB2' ' A' ' 93' ' ' GLU . 12.0 m-85 -113.67 120.89 42.42 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.376 -0.828 . . . . 0.0 110.671 -178.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 13.5 mtp180 -90.38 116.88 28.67 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.548 ' HA ' ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -104.75 130.23 52.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.707 -0.621 . . . . 0.0 110.387 -178.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.77 ' HB3' ' HD2' ' A' ' 113' ' ' PRO . 13.1 mt -84.27 -176.8 0.84 Allowed Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.032 -1.042 . . . . 0.0 108.238 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.77 ' HD2' ' HB3' ' A' ' 112' ' ' LEU . 30.8 Cg_endo . . . . . 0 C--N 1.321 -0.88 0 C-N-CA 121.623 1.549 . . . . 0.0 111.573 -178.863 . . . . . . . . 1 1 . 1 stop_ save_